CID int64 1 147M | SMILES stringlengths 2 1.55k | description stringlengths 188 1.47k | sequence stringlengths 255 109k |
|---|---|---|---|
129,626,631 | CCCCC[C@H]1[C@H](O1)/C=C/C(C/C=C\\C/C=C\\CCCC(=O)[O-])O | This is a description of a molecule: The molecule is an epoxy(hydroxy)icosatrienoate that is the conjugate base of 11 hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an 11 hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosa... | <graph>g_433molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_434molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_435molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,906,239 | CC(=O)O[C@@H]1C[C@@H]2[C@](C=CC(=O)C2(C)C)([C@@H]3[C@@]1(C4=CC[C@H]([C@@]4(CC3)C)C5=COC=C5)C)C | This is a description of a molecule: The molecule is a tetracyclic triterpenoid that is 4,4,8-trimethylandrosta-1,14-diene substituted by an oxo group at position 3, an acetoxy group at position 7 and a furan-3-yl group at position 17. Isolated from Azadirachta indica, it exhibits antiplasmodial and antineoplastic acti... | <graph>g_244molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_245molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_246molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node... |
12,699 | CN(C(=O)N)N=O | This is a description of a molecule: The molecule is a member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by methyl and nitroso groups. It has a role as a carcinogenic agent, a mutagen, a teratogenic agent and an alkylating agent. Generate this molecule graph between <graph>... | <graph>g_503molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_504molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_505molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node... |
636,970 | C1=CC=C2C(=C1)C(=CN2)C3=NC=CS3 | This is a description of a molecule: The molecule is an indole phytoalexin that is indole substituted at position 3 by a 1,3-thiazol-2-yl group. It has a role as a metabolite. It is an indole phytoalexin and a member of 1,3-thiazoles. Generate this molecule graph between <graph> </graph>: | <graph>g_509molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_510molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_511molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
45,266,651 | C([C@@H]1[C@H]([C@H](C(O1)NC(=O)C[NH3+])O)O)OP(=O)([O-])[O-] | This is a description of a molecule: The molecule is conjugate base of N(1)-(5-phospho-D-ribosyl)glycinamide. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate base of a N(1)-(5-phospho-D-ribosyl)glycinamide. Generate this molecule graph between <graph> </graph>: | <graph>g_413molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_414molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_415molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node... |
65,127 | C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)OP(=O)(O)O | This is a description of a molecule: The molecule is the pyranose form of D-mannose 6-phosphate. It is a D-mannose 6-phosphate and a D-hexopyranose 6-phosphate. It is a conjugate acid of a D-mannopyranose 6-phosphate(2-). Generate this molecule graph between <graph> </graph>: | <graph>g_197molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_198molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_199molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
53,354,913 | COC1=CC(=O)[C@@]2(C[C@]1([C@H](C3=CC(=C(C=C32)OC)O)C=C)OC)O | This is a description of a molecule: The molecule is an organic heterotricyclic compound found in Pterocarpus santalinus. It has a role as a metabolite and a plant metabolite. It is an organic heterotricyclic compound, an aromatic ether, a cyclic ketone, a member of phenols, a tertiary alcohol and a tertiary alpha-hydr... | <graph>g_44molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_45molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_46molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#... |
12,620 | CCCCCCCCCCCCCCCCCCCCCCO | This is a description of a molecule: The molecule is a long-chain primary fatty alcohol that is docosane substituted by a hydroxy group at position 1. It has a role as an antiviral agent. It is a long-chain primary fatty alcohol and a fatty alcohol 22:0. It derives from a hydride of a docosane. Generate this molecule g... | <graph>g_491molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_492molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_491molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
45,109,803 | C([C@@H]1[C@H]([C@@H](C(O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O | This is a description of a molecule: The molecule is a ketohexose bisphosphate that is D-fructofuranose carrying phosphate groups at positions 2 and 6. It derives from a D-fructofuranose. Generate this molecule graph between <graph> </graph>: | <graph>g_217molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_218molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_219molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
441,006 | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC4[C@H]([C@H]([C@@H]([C@H](O4)[C@@H](CO)O)O)O)O)O)O)N | This is a description of a molecule: The molecule is an ADP-glycero-D-manno-heptose. It has a role as an Escherichia coli metabolite. It is a conjugate acid of an ADP-D-glycero-D-manno-heptose(2-). Generate this molecule graph between <graph> </graph>: | <graph>g_178molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_179molecule#node#0#14molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_180molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#nod... |
11,954,133 | C1=CC(=C2C3=C(C(=C(C=C3)Cl)Cl)OC2=C1)O | This is a description of a molecule: The molecule is a member of the class of dibenzofurans that is dibenzo[b,d]furan substituted by a hydroxy group at position 1 and chloro groups at positions 6 and 7. It is a member of dibenzofurans, an organochlorine compound and a member of phenols. It derives from a hydride of a d... | <graph>g_372molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_373molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_374molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
31,155 | CC1=CC=CC=C1CC#N | This is a description of a molecule: The molecule is a nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 2-methylphenyl group. It derives from an acetonitrile. Generate this molecule graph between <graph> </graph>: | <graph>g_150molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0molecule#edge#1g_151molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_152molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
6,918,078 | CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O | This is a description of a molecule: The molecule is a tartrate salt obtained by reaction of rivastigmine with one equivalent of (R,R)-tartaric acid. A reversible cholinesterase inhibitor. It has a role as a cholinergic drug, an EC 3.1.1.8 (cholinesterase) inhibitor and a neuroprotective agent. It contains a rivastigmi... | <graph>g_248molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_249molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_250molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node... |
86,289,352 | COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)[O-])O | This is a description of a molecule: The molecule is a flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of 3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a 3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone. Gener... | <graph>g_278molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_279molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_280molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node... |
71,768,140 | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=NC4=O)N)OP(=O)(O)OC[C@@H]5[C@H](C[C@@H](O5)N6C=NC7=C(N=CN=C76)N)OP(=O)(O)OC[C@@H]8[C@H](C[C@@H](O8)N9C=NC1=C(N=CN=C19)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)O | This is a description of a molecule: The molecule is a single-stranded DNA oligonucleotide comprised of two deoxyadenosine, one thymidine and three deoxycytidine residues connected by 3'->5' phosphodiester linkages in the sequence TCAACC. It has a role as an antigen. Generate this molecule graph between <graph> </graph... | <graph>g_415molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_416molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_417molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node... |
23,623,724 | C[C@@H](CCCC(=C)C)CCOC(=O)CC1=CC=CC=C1 | This is a description of a molecule: The molecule is a carboxylic ester resulting from the formal condensation of phenylacetic acid with (3S)-3,7-dimethyloct-7-en-1-ol. It has a role as a flavouring agent. It is a carboxylic ester and an olefinic compound. It derives from a phenylacetic acid. Generate this molecule gra... | <graph>g_506molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_507molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_508molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
8,914 | CCCCCCCCCO | This is a description of a molecule: The molecule is a fatty alcohol consisting of a hydroxy function at C-1 of an unbranched saturated chain of nine carbon atoms. It has been isolated as a component of volatile oils from plants like Hordeum vulgare. It has a role as a plant metabolite and a volatile oil component. It ... | <graph>g_355molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_356molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_357molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
33,360 | CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C | This is a description of a molecule: The molecule is a methanesulfonate ester that is methanesulfonic acid in which the hydrogen of the hydroxy group has been replaced by a 2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl group. It is an ether, a methanesulfonate ester and a member of 1-benzofurans. Generate this mo... | <graph>g_476molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0molecule#edge#1g_477molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_478molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node... |
195,429 | CCN(CC)C(=O)N1C=NC(=N1)S(=O)(=O)C2=C(C=C(C=C2C)C)C | This is a description of a molecule: The molecule is a member of benzenes, a sulfone and a member of triazoles. It has a role as an antimitotic, a herbicide and an agrochemical. Generate this molecule graph between <graph> </graph>: | <graph>g_142molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_143molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_144molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
122,391,316 | CC/C=C\\C/C=C\\C/C=C\\C=C\\C(C/C=C\\C/C=C\\CCC(=O)O)OO | This is a description of a molecule: The molecule is a docosanoid that is (4Z,7Z,11E,13Z,16Z,19Z)-docosahexaenoic acid carrying a hydroperoxy substituent at position 10. It is a docosanoid, a hydroperoxy fatty acid and a long-chain fatty acid. It derives from an all-cis-docosa-4,7,10,13,16,19-hexaenoic acid. It is a co... | <graph>g_65molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_66molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_67molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#... |
527,024 | CCC(=O)N(C1CCN(CC1)C)C2=CC=CC=C2 | This is a description of a molecule: The molecule is the monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of 1-methyl-N-phenylpiperidin-4-amine with propanoic acid. It is a member of piperidines and a monocarboxylic acid amide. Generate this molecule graph between <graph> </graph... | <graph>g_400molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_401molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_402molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
525 | C(C(C(=O)O)O)C(=O)O | This is a description of a molecule: The molecule is a 2-hydroxydicarboxylic acid that is succinic acid in which one of the hydrogens attached to a carbon is replaced by a hydroxy group. It has a role as a food acidity regulator and a fundamental metabolite. It is a 2-hydroxydicarboxylic acid and a C4-dicarboxylic acid... | <graph>g_337molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_338molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_339molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
91,828,206 | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)C[C@@H](C(=O)O)N)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O... | This is a description of a molecule: The molecule is a glucosaminoglycan consisting of L-asparagine having the heptasaccharide alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc attached at the N(4)-position It is a N(4)-glycosyl-L-aspara... | <graph>g_172molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_173molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_174molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node... |
20,055,509 | CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4.O.O.O.Br | This is a description of a molecule: The molecule is a hydrate that is the trihydrate form of scopolamine hydrobromide. It has a role as a mydriatic agent, a muscarinic antagonist, an anaesthesia adjuvant, an antispasmodic drug and an antiemetic. It contains a scopolamine hydrobromide (anhydrous). Generate this molecul... | <graph>g_421molecule#node#0#34molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_422molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_423molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#... |
51,644,315 | C(=O)([O-])P(=O)(O)[O-] | This is a description of a molecule: The molecule is a organophosphonate oxoanion obtained by deprotonation of the carboxy and one of the ohopsphonate OH groups of phosphonoformic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is an organophosphonate oxoanion and a monocarboxylic acid a... | <graph>g_471molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_472molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_471molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
11,487 | C1=CC=C(C=C1)NC2=CC=CC=C2 | This is a description of a molecule: The molecule is an aromatic amine containing two phenyl substituents. It has been used as a fungicide for the treatment of superficial scald in apples and pears, but is no longer approved for this purpose within the European Union. It has a role as a carotogenesis inhibitor, an anti... | <graph>g_424molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_425molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_426molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
20,803 | CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5.[Na+] | This is a description of a molecule: The molecule is an organic sodium salt having 3-[(ethyl{4-[(4-{ethyl[(3-sulfonatophenyl)methyl]amino}phenyl)(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene}azaniumyl)methyl]benzene-1-sulfonate. Used as a substitute for Light green SF yellowish in Masson's trichrome, although it is ... | <graph>g_436molecule#node#0#10molecule#node#1#0molecule#node#2#6molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_437molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_438molecule#node#0#15molecule#node#1#0molecule#node#2#5molecule#node#3... |
131,801,253 | C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(C[C@H]([C@@]3([C@H]2CC=C4[C@H]3CC[C@@H](C4(C)C)O)C)O)C)C | This is a description of a molecule: The molecule is a tetracyclic triterpenoid that is 4,9-cyclo-9,10-secocholesta-5,24-diene substituted by methyl groups at positions 9beta, 10, and 14, and by hydroxy groups at positions 1 and 11alpha. It has a role as a plant metabolite. It is a tetracyclic triterpenoid, a secondary... | <graph>g_268molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0molecule#edge#1g_269molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_270molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node... |
136,254,572 | C1=NC2=C(N1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O4)O)N=C(NC2=O)N | This is a description of a molecule: The molecule is a 2',3'-cyclic purine nucleotide that is GMP in which the hydroxy groups at the 2' and 3' positions have been converted into the corresponding cyclic phosphate. It is a 2',3'-cyclic purine nucleotide, a guanyl ribonucleotide and a guanosine bisphosphate. It derives f... | <graph>g_242molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_243molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_244molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node... |
50,909,811 | C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H]([C@@H]([C@@H](O[C@H]2O[C@H]3[C@@H]([C@H](OC([C@@H]3NC(=O)C)O)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)NC(=O)C)C)O)O)O)O)O | This is a description of a molecule: The molecule is a branched amino tetrasaccharide consisting of N-acetyl-glucosamine at the reducing end with an alpha-fucosyl-(1->2)-alpha-fucosyl group attached at the 3-position and an N-acetyl-beta-glucosaminyl residue attached at the 4-position. It has a role as an epitope. It i... | <graph>g_287molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_288molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_289molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
7,439 | CC1=CCC(CC1=O)C(=C)C | This is a description of a molecule: The molecule is a p-menthane monoterpenoid that consists of cyclohex-2-enone having methyl and isopropenyl substituents at positions 2 and 5, respectively. It has a role as an allergen. It is a member of carvones and a botanical anti-fungal agent. Generate this molecule graph betwee... | <graph>g_460molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_461molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_462molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
49,787,019 | CC1=C(C(=CC2=CC3=C(C(=C12)O)C(=O)[C@@]4(C(=O)C=C([C@H]([C@@]4(C3=O)O)O)OC)O)O)C(=O)OC | This is a description of a molecule: The molecule is a member of the class of tetracenes that is tetracenomycin C in which the methoxy group at position 3 is replaced by a phenolic OH. It has a role as a bacterial metabolite. It is an enol ether, an enone, a triol, a polyphenol, a methyl ester, a tetracenomycin and a t... | <graph>g_131molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_132molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_133molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
3,985 | CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)O | This is a description of a molecule: The molecule is a 1-alkylglycero-3-phosphocholine in which the alkyl group is specified as octadecyl. It has a role as a human metabolite. Generate this molecule graph between <graph> </graph>: | <graph>g_268molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0molecule#edge#1g_269molecule#node#0#6molecule#node#1#0molecule#node#2#6molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_270molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
End of preview. Expand in Data Studio
README.md exists but content is empty.
- Downloads last month
- 3