anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(=O)O[C@H]1[C@H]2[C@@H](OC(=O)C2=C)C=C(C)[C@H]2CC[C@@](C)(O)[C@H]12 CC(=O)O[C@H]1[C@H]2[C@@H](OC(=O)C2=C)C=C(C)[C@H]2CC[C@@](C)(O)[C@H]12 is A sesquiterpene lactone that is 3a,4,4a,5,6,7,7a,9a-octahydroazuleno[6,5-b]furan-2(3H)-one substituted by a hydroxy group at position 5, methyl groups at positions 5 and 8, a methylidene group at position 3 and an acetoxy group at position 4. It has been isolated from the aerial parts of Inula hupehensis. It has the role of metabolite . It has the role of plant metabolite . It is also related to or classified as tertiary alcohol  .  It is also related to or classified as gamma-lactone  .  It is also related to or classified as acetate ester  . It is also related to or classified as organic heterotricyclic compound , sesquiterpene lactone .
The molecule C[C@]12CCC3=C([C@@H]1C[C@H]4[C@@]5([C@@]26[C@@H](O6)[C@H]7[C@@]([C@H]5O)(O7)C(C)(C)O)O4)COC3=O is a tetracyclic diterpenoid that is isolated from Tripterygium wilfordii and exhibits anti-inflammatory properties. It has a role as a plant metabolite. It is an epoxide, a gamma-lactone, a secondary alcohol and a tetracyclic diterpenoid.
The molecule C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@]2(C)[C@H]1CCC2=O C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@]2(C)[C@H]1CCC2=O is A sesquiterpene lactone that is decahydroazuleno[6,5-b]furan-2,5-dione substituted by methyl groups at positions 4a and 8, a methylidene group at position 3 and an acetyloxy group at position 4. It has been isolated from the aerial parts of Inula hupehensis. It has the role of metabolite . It has the role of antineoplastic agent . It has the role of anti-inflammatory agent . It has the role of NF-kappaB inhibitor . It has the role of plant metabolite .  It is also related to or classified as gamma-lactone  .   It is also related to or classified as acetate ester  . It is also related to or classified as organic heterotricyclic compound , sesquiterpene lactone , cyclic ketone .
The molecule COc1ccccc1I COc1ccccc1I is an organoiodine compound that is iodobenzene substituted by methoxy group at psotion 2.  It is also related to or classified as organoiodine compound  . It is also related to or classified as aromatic ether .
The molecule C1=C(C=C(C2=C1C(=O)C(=O)C(=C2[O-])C3=C(C4=C(C=C(C=C4[O-])O)C(=O)C3=O)[O-])O)O is a flavonoid oxoanion that is a trianionic form of 3,3'-biflaviolin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a 3,3'-biflaviolin 2,2'-diolate.
The molecule C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@@]2(C)[C@H]1CCC2=O C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@@]2(C)[C@H]1CCC2=O is A sesquiterpene lactonethat is 2,3-dihydroaromaticin substituted by an alpha-hydroxy group at position 6. It has been isolated from the aerial parts of Inula hupehensis. It has the role of metabolite . It has the role of anti-inflammatory agent . It has the role of plant metabolite .  It is also related to or classified as secondary alcohol  . It is also related to or classified as gamma-lactone  . It is also related to or classified as organic heterotricyclic compound , sesquiterpene lactone , cyclic ketone .
The molecule CC(C)C(\C(O)=O)=C\C(O)=O CC(C)C(\C(O)=O)=C\C(O)=O is the 2-isopropyl derivative of maleic acid. It has the role of Escherichia coli metabolite . Its functional parent is maleic acid . It is a conjugate acid of 2-isopropylmaleate(2-) . It is also related to or classified as dicarboxylic acid .
The molecule CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O is a thymidine phosphate having a diphosphate group at the 5'-position. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a pyrimidine 2'-deoxyribonucleoside 5'-diphosphate and a thymidine phosphate. It is a conjugate acid of a dTDP(3-).
The molecule C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@]2(C)[C@H]1CCC2=O C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@]2(C)[C@H]1CCC2=O is A sesquiterpene lactone that is decahydroazuleno[6,5-b]furan-2,5-dione substituted by methyl groups at positions 4a and 8 and a methylidene group at position 3. It has been isolated from the aerial parts of Inula hupehensis. It has the role of metabolite . It has the role of anti-inflammatory agent . It has the role of plant metabolite .  It is also related to or classified as gamma-lactone  . It is also related to or classified as organic heterotricyclic compound , sesquiterpene lactone , cyclic ketone .
The molecule CC1=C(N2C(=O)C3=C(N=C2N1)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)CC[C@@H](C(=O)O)N is a ribonucleoside 5'-monophosphate having (2S)-2-amino-4-(6-methyl-9-oxo-4,9-dihydro-3H-imidazo[1,2-a]purin-7-yl)butanoic acid as the nucleobase. It derives from a guanosine. It is a tautomer of a 4-demethyl-7-(3-amino-3-carboxypropyl)wyosine 5'-monophosphate zwitterion.
The molecule CCCC(C)CC(=C)C is an alkene that is 2-methylhept-1-ene carrying a methyl group at position 4. It has a role as a human metabolite and an animal metabolite. It is an alkene and a volatile organic compound. It derives from a hydride of a heptane.
The molecule C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@]2(C)[C@H]1C=CC2=O C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@]2(C)[C@H]1C=CC2=O is A sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by methyl groups at positions 4a and 8, a methylidene group at position 3 and an acetoxy group at position 4. Isolated from Inula hupehensis, it exhibits antineoplastic activity. It has the role of antineoplastic agent . It has the role of immunomodulator . It has the role of apoptosis inducer . It has the role of plant metabolite .  It is also related to or classified as gamma-lactone  .   It is also related to or classified as acetate ester  . It is also related to or classified as organic heterotricyclic compound , sesquiterpene lactone , cyclic ketone .
The molecule OCCP(O)([O-])=O OCCP(O)([O-])=O is an organophosphonate oxoanion that is the conjugate base of 2-hydroxyethylphosphonic acid, arising from deprotonation of one of the two phosphonate OH groups; major species at pH 7.3. It is also related to or classified as organophosphonate oxoanion .
The molecule C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N(C)C)O is a dTDP-sugar having D-ravidosamine as the sugar component. It derives from a D-ravidosamine. It is a conjugate acid of a dTDP-D-ravidosamine(1-).
The molecule CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)NC(=O)C)I.C[NH2+]C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O is the N-methylglucamine salt of amidotrizoic acid. Both the sodium and the meglumine salts of amidotrizoic acid have been widely used as water-soluble radioopaque media in diagnostic radiography. The use of a mixture of the two salts is often preferred, as adverse effects can be reduced. It has a role as a radioopaque medium. It contains an amidotrizoic acid anion and a N-methylglucamine.
The molecule C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@@]2(C)[C@H]1C=CC2=O C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@@]2(C)[C@H]1C=CC2=O is A  sesquiterpene lactone that is the C-8 epimer of helenalin. Isolated from the aerial parts of Inula hupehensis, it exhibits  anti-inflammatory activity. It has the role of metabolite . It has the role of anti-inflammatory agent . It has the role of plant metabolite .  It is also related to or classified as secondary alcohol  . It is also related to or classified as gamma-lactone  . It is also related to or classified as organic heterotricyclic compound , sesquiterpene lactone , cyclic ketone .
The molecule OC(CCC([O-])=O)(CC([O-])=O)C([O-])=O OC(CCC([O-])=O)(CC([O-])=O)C([O-])=O is tricarboxylate anion of homocitric acid. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as tricarboxylic acid trianion .
The molecule Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)Nc2ccccc2C([O-])=O)[C@@H](O)[C@H]1O Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)Nc2ccccc2C([O-])=O)[C@@H](O)[C@H]1O is dianion of N-adenylylanthranilic acid arising from deprotonation of the carboxy and phosphoramidate OH groups; major species at pH 7.3. It is also related to or classified as hydroxy monocarboxylic acid anion , organic phosphoramidate anion .
The molecule C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CNC3=O)COP(=O)([O-])[O-])O is a 2'-deoxyribonucleoside 5'-monophosphate(2-) obtained by deprotonation of the phosphate OH groups of 2'-deoxyinosine 5'-monophosphate; major species at pH 7.3. It has a role as a human metabolite. It is a 2'-deoxynucleoside 5'-monophosphate(2-) and a purine 2'-deoxyribonucleoside 5'-phosphate(2-). It is a conjugate base of a 2'-deoxyinosine-5'-monophosphate.
The molecule CC(=O)O[C@H]1C[C@@](C)(O)[C@H]2[C@H]1C(C)=C[C@@H]1OC(=O)C(=C)[C@H]1[C@@H]2O CC(=O)O[C@H]1C[C@@](C)(O)[C@H]2[C@H]1C(C)=C[C@@H]1OC(=O)C(=C)[C@H]1[C@@H]2O is A guaiane sesquiterpenoid with anti-inflammatory activity isolated from the aerial parts of Inula hupehensis. It has the role of metabolite . It has the role of anti-inflammatory agent . It has the role of plant metabolite . It is also related to or classified as diol  .   It is also related to or classified as gamma-lactone  . It is also related to or classified as acetate ester  . It is also related to or classified as organic heterotricyclic compound , guaiane sesquiterpenoid .
The molecule CC1=C(C=C(OC1=O)/C=C/C(=O)C)OC is a member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4, a methyl group at position 3 and a 3-oxobut-1-en-1-yl group at position 6. It has been isolated from an endophytic fungus Aspergillus niger. It has a role as an antineoplastic agent and an Aspergillus metabolite. It is a member of 2-pyranones and a methyl ketone.
The molecule C[C@]1(O)CC=C2[C@H]1C[C@H]1[C@H](C[C@@]2(C)O)OC(=O)C1=C C[C@]1(O)CC=C2[C@H]1C[C@H]1[C@H](C[C@@]2(C)O)OC(=O)C1=C is A guaiane sesquiterpenoid with anti-inflammatory activity isolated from the aerial parts of Inula hupehensis. It has the role of metabolite . It has the role of anti-inflammatory agent . It has the role of plant metabolite . It is also related to or classified as tertiary alcohol  .   It is also related to or classified as gamma-lactone  . It is also related to or classified as organic heterotricyclic compound , guaiane sesquiterpenoid .
The molecule C1c2ccccc2Sc2ccccc12 C1c2ccccc2Sc2ccccc12 is A thioxanthene that consists of a xanthene skeleton in which the oxygen atom is replaced by a sulfur atom. It is also related to or classified as thioxanthene  .
The molecule O([C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]1CO)O)[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO O([C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]1CO)O)[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO is A alpha-D-Galp-(1->4)-D-Glcp in which the carbon bearing the anomeric hydroxy group has alpha configuration. Its functional parent is alpha-D-glucose . Its functional parent is alpha-D-galactose . It is also related to or classified as alpha-D-Galp-(1->4)-D-Glcp  .
The molecule CCC(C(=O)[O-])N is an alpha-amino-acid anion that is the conjugate base of alpha-aminobutyric acid. It has a role as a human metabolite. It is a conjugate base of an alpha-aminobutyric acid.
The molecule C[C@@H]1[C@@H]2[C@H](C[C@@H](C)[C@@H]3CCC(=O)[C@@]3(C)[C@H]2O)OC1=O C[C@@H]1[C@@H]2[C@H](C[C@@H](C)[C@@H]3CCC(=O)[C@@]3(C)[C@H]2O)OC1=O is A pseudoguaianolide with anti-inflammatory activity isolated from the aerial parts of Inula hupehensis. It has the role of anti-inflammatory agent . It has the role of plant metabolite .  It is also related to or classified as secondary alcohol  . It is also related to or classified as gamma-lactone  . It is also related to or classified as organic heterotricyclic compound , cyclic ketone , pseudoguaianolide .
The molecule [O-]C(=O)CC(=O)\C=C/C([O-])=O [O-]C(=O)CC(=O)\C=C/C([O-])=O is A 4-oxohex-2-enedioate that is the conjugate base of maleylacetic acid. It is also related to or classified as 4-oxohex-2-enedioate  .
The molecule C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)N is a fifteen-membered polypeptide consisting of Asp, Ser, Gly, Glu, Gly, Asp, Phe, Leu, Ala, Glu, Gly, Gly, Gly, Val and Arg residues joined in sequence. It is a conjugate acid of a DSGEGDFLAEGGGVR(3-).
The molecule CO[C@H]1CC(=O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)C(=C)[C@H]1[C@@H]2OC(C)=O CO[C@H]1CC(=O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)C(=C)[C@H]1[C@@H]2OC(C)=O is A pseudoguaianolide with anti-inflammatory activity isolated from the aerial parts of Inula hupehensis. It has the role of anti-inflammatory agent . It has the role of plant metabolite . It is also related to or classified as ether  .  It is also related to or classified as gamma-lactone  .  It is also related to or classified as acetate ester  . It is also related to or classified as organic heterotricyclic compound , cyclic ketone , pseudoguaianolide .
The molecule OS(=O)(=O)CCS OS(=O)(=O)CCS is an organosulfonic acid consisting of sulfonic acid having a 2-mercaptoethyl group attached to sulfur. It has the role of coenzyme . It is a conjugate acid of coenzyme M(1-) . It is also related to or classified as thiol  . It is also related to or classified as organosulfonic acid  .
The molecule [205Tl] is the stable isotope of thallium with relative atomic mass 204.9744. The most abundant (70.476 atom percent) isotope of naturally occurring thallium.
The molecule CO[C@@H]1CC(=O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)C(=C)[C@H]1[C@@H]2OC(C)=O CO[C@@H]1CC(=O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)C(=C)[C@H]1[C@@H]2OC(C)=O is A pseudoguaianolide with anti-inflammatory activity isolated from the aerial parts of Inula hupehensis. It has the role of anti-inflammatory agent . It has the role of plant metabolite . It is also related to or classified as ether  .  It is also related to or classified as gamma-lactone  .  It is also related to or classified as acetate ester  . It is also related to or classified as organic heterotricyclic compound , cyclic ketone , pseudoguaianolide .
The molecule CC(C)NC(=O)CC[C@@H](C(=O)[O-])[NH3+] is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of N-isopropyl-L-glutamine; major species at pH 7.3. It has a role as a bacterial metabolite. It is a tautomer of a N-isopropyl-L-glutamine.
The molecule COc1ccc(OC)c(c1)C(O)CNC(=O)CN COc1ccc(OC)c(c1)C(O)CNC(=O)CN is an aromatic ether that is 1,4-dimethoxybenzene which is substituted at position 2 by a 2-(glycylamino)-1-hydroxyethyl group. A direct-acting sympathomimetic with selective alpha-adrenergic agonist activity, it is used (generally as its hydrochloride salt) as a peripheral vasoconstrictor in the treatment of certain hypotensive states. The main active moiety is its major metabolite, deglymidodrine. It has the role of sympathomimetic agent . It has the role of alpha-adrenergic agonist . It has the role of prodrug . It has the role of vasoconstrictor agent . Its functional parent is glycinamide . Its functional parent is deglymidodrine .   It is also related to or classified as secondary alcohol  . It is also related to or classified as amino acid amide , aromatic ether .
The molecule CC(=O)OCC[C@@H]1[C@H](OC2=C1C(=C3C(=C2)C(=O)C4=C(C3=O)C(=CC(=C4)O)O)O)O is an optically active form of versiconal hemiacetal acetate having 2S,3S-configuration. It is a conjugate acid of a (2S,3S)-versiconal hemiacetal acetate(1-).
The molecule [C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O is a 1D-myo-inositol bis(diphosphate) tetrakisphosphate having the two diphospho groups located at positions 3 and 5. It derives from a myo-inositol. It is a conjugate acid of a 3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate(13-).
The molecule CCO[C@@H]1CC(=O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)C(=C)[C@H]1[C@@H]2O CCO[C@@H]1CC(=O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)C(=C)[C@H]1[C@@H]2O is A pseudoguaianolide with anti-inflammatory activity isolated from the aerial parts of Inula hupehensis. It has the role of anti-inflammatory agent . It has the role of plant metabolite . It is also related to or classified as ether  .  It is also related to or classified as secondary alcohol  . It is also related to or classified as gamma-lactone  . It is also related to or classified as organic heterotricyclic compound , cyclic ketone , pseudoguaianolide .
The molecule CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C(O)CCC(O)=O CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C(O)CCC(O)=O is A hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxyglutaric acid. Its functional parent is glutaryl-CoA . Its functional parent is 2-hydroxyglutaric acid . It is a conjugate acid of 2-hydroxyglutaryl-CoA(5-) . It is also related to or classified as hydroxyacyl-CoA .
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CCC(=O)C)/C)/C)/C)C is a terpene ketone in which a (9E,13E)-geranylgernayl group is bonded to one of the alpha-methyls of acetone (it is a mixture of 5E- and 5Z-geoisomers in a 3:2 ratio). It has a role as an anti-ulcer drug, a cardioprotective agent, a hepatoprotective agent, a nephroprotective agent, a neuroprotective agent and a Hsp70 inducer. It is a methyl ketone and a terpene ketone. It contains a geranylgeranyl group.
The molecule CO[C@@H]1CC(=O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)C(=C)[C@H]1[C@@H]2O CO[C@@H]1CC(=O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)C(=C)[C@H]1[C@@H]2O is A pseudoguaianolide with anti-inflammatory activity isolated from the aerial parts of Inula hupehensis. It has the role of anti-inflammatory agent . It has the role of plant metabolite . It is also related to or classified as ether  .  It is also related to or classified as secondary alcohol  . It is also related to or classified as gamma-lactone  . It is also related to or classified as organic heterotricyclic compound , cyclic ketone , pseudoguaianolide .
The molecule C=1(C(=C(Cl)C=CC1)C2N(C(C(S2)C)=O)C3=NC=CC=C3)Cl C=1(C(=C(Cl)C=CC1)C2N(C(C(S2)C)=O)C3=NC=CC=C3)Cl is 2-(2,6-Dichlorophenyl)-5-methyl-3-(2-pyridyl)thiazolidin-4-one. It has the role of anticoronaviral agent . It is also related to or classified as dichlorobenzene  .
The molecule C(CON)[C@@H](C(=O)O)N is a non-proteinogenic L-alpha-amino acid that is L-homoserine in which the hydroxy group at position 4 is substituted by an aminooxy group. It has been isolated from legumes and plays an essential role in lugume chemical defense against insects. It has a role as a plant metabolite, an antineoplastic agent, an antimetabolite and a phytogenic insecticide. It derives from a L-homoserine. It is a tautomer of a L-canaline zwitterion.
The molecule CC(=O)OC[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@]2(C)[C@H]1CCC2=O CC(=O)OC[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@]2(C)[C@H]1CCC2=O is A pseudoguaianolide with anti-inflammatory activity isolated from the aerial parts of Inula hupehensis. It has the role of anti-inflammatory agent . It has the role of plant metabolite .  It is also related to or classified as gamma-lactone  .  It is also related to or classified as acetate ester  . It is also related to or classified as organic heterotricyclic compound , cyclic ketone , pseudoguaianolide .
The molecule O=C1NC2=C(O)C(=C(OC)C(C2=O)=O)C[C@H](C[C@H](OC)[C@H](O)[C@H](C=C([C@@H]([C@H](C=CC=C1C)OC)OC(=O)N)C)C)C O=C1NC2=C(O)C(=C(OC)C(C2=O)=O)C[C@H](C[C@H](OC)[C@H](O)[C@H](C=C([C@@H]([C@H](C=CC=C1C)OC)OC(=O)N)C)C)C is Geldanamycin B. It is also related to or classified as enol  . It is also related to or classified as enone  .
The molecule C\C1=C2\N\C(=C/C3=N/C(=C\c4[nH]c(Cc5[nH]c1c(CC(O)=O)c5CCC(O)=O)c(CCC(O)=O)c4CC(O)=O)[C@@H](CCC(O)=O)[C@]3(C)CC(O)=O)[C@@H](CCC(O)=O)[C@]2(C)CC(O)=O C\C1=C2\N\C(=C/C3=N/C(=C\c4[nH]c(Cc5[nH]c1c(CC(O)=O)c5CCC(O)=O)c(CCC(O)=O)c4CC(O)=O)[C@@H](CCC(O)=O)[C@]3(C)CC(O)=O)[C@@H](CCC(O)=O)[C@]2(C)CC(O)=O is the intermediate in the biosynthesis of vitamin B12 from uroporphyrinogen III in which three methyl groups have been introduced at positions 2, 7 and 20 of the tetrapyrrole framework. It is a conjugate acid of precorrin-3A(7-) . It is also related to or classified as precorrin .
The molecule CCC(C)CC(C)/C=C(\\C)/C=C/C(=O)C[C@H]1C2=COC(=CC2=CC(=O)[C@]1(C)O)[C@@H]3[C@H](C[C@H](CC3=O)O)C is an azaphilone that is 7,8-dihydro-6H-isochromen-6-one substituted by a hydroxy group at position 7, a 4-hydroxy-2-methyl-6-oxocyclohexyl group at position 3, a methyl group at position 7 and a 5,7,9-trimethyl-2-oxoundeca-3,5-dien-1-yl group at position 8. Isolated from Chaetomium longirostre, it exhibits cytotoxic and antimalarial activities. It has a role as an antimalarial, an antineoplastic agent and a Chaetomium metabolite. It is an azaphilone, an organic heterobicyclic compound, an enone and a tertiary alpha-hydroxy ketone.
The molecule C[C@H]1[C@@H]2[C@H](C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@H]2O)OC1=O C[C@H]1[C@@H]2[C@H](C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@H]2O)OC1=O is A pseudoguaianolide with anti-inflammatory activity isolated from the aerial parts of Inula hupehensis. It has the role of anti-inflammatory agent . It has the role of plant metabolite .  It is also related to or classified as secondary alcohol  . It is also related to or classified as gamma-lactone  . It is also related to or classified as organic heterotricyclic compound , cyclic ketone , pseudoguaianolide .
The molecule CC(C=O)C(O)=O CC(C=O)C(O)=O is the 2-methyl-3-oxo derivative of propanoic acid. Its functional parent is propionic acid . It is a conjugate acid of 2-methyl-3-oxopropanoate . It is also related to or classified as aldehyde  . It is also related to or classified as 3-oxo monocarboxylic acid .
The molecule CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O is A member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones. It has the role of cofactor . It has the role of plant metabolite . It has the role of human metabolite . It is also related to or classified as phylloquinones , vitamin K .
The molecule C[C@@H](CN)C(=O)O is a beta-amino acid and a 3-aminoisobutyric acid. It has a role as a human metabolite. It is a conjugate acid of a (S)-3-aminoisobutyrate. It is an enantiomer of a (R)-3-aminoisobutyric acid. It is a tautomer of a (S)-3-aminoisobutyric acid zwitterion.
The molecule C[C@@H]1C[C@H](O)[C@@H]2[C@H](OC(=O)C2=C)[C@@]2(C)[C@H]1C=CC2=O C[C@@H]1C[C@H](O)[C@@H]2[C@H](OC(=O)C2=C)[C@@]2(C)[C@H]1C=CC2=O is A pseudoguaianolide isolated from the aerial parts of Inula hupehensis. It has the role of anti-inflammatory agent . It has the role of plant metabolite .  It is also related to or classified as secondary alcohol  . It is also related to or classified as gamma-lactone  . It is also related to or classified as organic heterotricyclic compound , cyclic ketone , pseudoguaianolide .
The molecule O=C1N2C3=C(C=CC=C3)[C@@](C2=NC4=C1C=CC=C4)(O)C[C@@H]5NC(=O)[C@H](CC6=CC=C(O)C=C6)NC5=O O=C1N2C3=C(C=CC=C3)[C@@](C2=NC4=C1C=CC=C4)(O)C[C@@H]5NC(=O)[C@H](CC6=CC=C(O)C=C6)NC5=O is Aspertryptanthrin B. It is also related to or classified as organonitrogen heterocyclic compound , organic heterotetracyclic compound .
The molecule C[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)O[C@H]7[C@@H]([C@@H]([C@@H]([C@H](O7)CO)O)O)O is a cardenolide glycoside that is sarmentologenin glycosylated at position 3 by a beta-allosyl-(1->4)-beta-6-deoxyallosyl moiety. Isolated from Elaeodendron alluaudianum, it exhibits antiproliferative activity against human ovarian cancer and human histiocytic lymphoma cell lines. It has a role as a metabolite. It is a steroid lactone, a cardenolide glycoside and a hydroxy steroid. It derives from a sarmentologenin.