anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@H](C[C@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C is a trihydroxy-5beta-cholanic acid in which the three hydroxy groups are located at positions 3alpha, 7alpha and 12alpha together with a methyl substituent, with S-configuration, at position 23. It derives from a cholic acid.
The molecule CC(C)=CCc1cc(ccc1O)-c1coc2c(C(C=C(C)C)c3cc(ccc3O)-c3coc4cc(O)cc(O)c4c3=O)c(O)cc(O)c2c1=O CC(C)=CCc1cc(ccc1O)-c1coc2c(C(C=C(C)C)c3cc(ccc3O)-c3coc4cc(O)cc(O)c4c3=O)c(O)cc(O)c2c1=O is A hydroxyisoflavone, isoflavone dimer obtained from Ficus mucuso. It has the role of plant metabolite . It is also related to or classified as hydroxyisoflavone .
The molecule O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CCC([C@@H](CC1)O)=O)C)C)CC(C)C O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CCC([C@@H](CC1)O)=O)C)C)CC(C)C is Flavichalasine I. It has the role of fungal metabolite . It is also related to or classified as cytochalasin .
The molecule CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@H](CCCCCCC(=O)O)O)O is an (S)-3-hydroxyacyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the 1-carboxy group of (S)-3-hydroxydodecanedioic acid. It is a conjugate acid of a (S)-3-hydroxydecanedioyl-CoA(5-).
The molecule O([C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)CO)C[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]3CO)O)[C@@H](O)[C@@H](O)[C@@H]2O O([C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)CO)C[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]3CO)O)[C@@H](O)[C@@H](O)[C@@H]2O is an amino trisaccharide consisting of alpha-D-mannopyranose, beta-D-mannopyranose and 2-acetamido-2-deoxy-D-glucopyranose residues joined in sequence by (1->6) and (1->4) glycosidic bonds. Its functional parent is alpha-D-Manp-(1->6)-beta-D-Manp . Its functional parent is beta-D-Manp-(1->4)-D-GlcpNAc . It is also related to or classified as acetamides , glucosamine oligosaccharide , amino trisaccharide .
The molecule Cc1ncc(C(O)=O)c(CO)c1O Cc1ncc(C(O)=O)c(CO)c1O is A pyridinemonocarboxylic acid that is pyridine-3-carboxylic acid substituted by a hydroxy group at position 5, hydroxy methyl group at position 4 and a methyl group at position 6. It has the role of human urinary metabolite . Its functional parent is nicotinic acid . It is a conjugate acid of 5-pyridoxate . It is also related to or classified as methylpyridines , pyridinemonocarboxylic acid , monohydroxypyridine , hydroxymethylpyridine .
The molecule OC(CCCC)C\C(=N\CC(O)=O)\C=O OC(CCCC)C\C(=N\CC(O)=O)\C=O is 4-hydroxyoct-1-enoylglycine. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C/C=C(/C)\\C(=O)O is the (Z)-isomer of 2-methylbut-2-enoic acid. It is found in plant species of the family Apiaceae. It has a role as a plant metabolite. It derives from an isocrotonic acid.
The molecule CC(C)=C[C@@H]1C[C@@](C)(Oc2ccc(cc12)-c1coc2cc(O)cc(O)c2c1=O)\C=C\c1cc(ccc1O)-c1coc2cc(O)cc(O)c2c1=O CC(C)=C[C@@H]1C[C@@](C)(Oc2ccc(cc12)-c1coc2cc(O)cc(O)c2c1=O)\C=C\c1cc(ccc1O)-c1coc2cc(O)cc(O)c2c1=O is A hydroxyisoflavone, isoflavone dimer obtained from Ficus mucuso. It has the role of plant metabolite . It is also related to or classified as hydroxyisoflavone .
The molecule C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H]([C@@H]([C@H](O[C@H]2O)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O is a branched tetrasaccharide consisting of beta-D-mannose having two alpha-D-mannosyl residues attached at the 3- and 6-positions as well as a beta-D-xylosyl residue at the 2-position. It has a role as a carbohydrate allergen.
The molecule ClC1=C(OC)C=C2CC(=CC=C[C@@H](OC)[C@]3(O)NC(O[C@H]([C@H]([C@H]4[C@]([C@H](CC(N(C1=C2)C5OC(C(O)C(C5O)O)CO)=O)OC(=O)CC)(O4)C)C)C3)=O)C ClC1=C(OC)C=C2CC(=CC=C[C@@H](OC)[C@]3(O)NC(O[C@H]([C@H]([C@H]4[C@]([C@H](CC(N(C1=C2)C5OC(C(O)C(C5O)O)CO)=O)OC(=O)CC)(O4)C)C)C3)=O)C is Ansamitocinoside P-2. It is also related to or classified as O-acyl carbohydrate , fatty acid derivative .
The molecule [O-]P(=O)=O is a divalent inorganic anion obtained by removal of both protons from phosphonic acid It is a phosphorus oxoanion and a divalent inorganic anion. It is a conjugate base of a phosphonate(1-).
The molecule CC1=C[C@H](c2cc(ccc2O)-c2coc3cc(O)cc(O)c3c2=O)[C@@](C)(CC1)\C=C\c1cc(ccc1O)-c1coc2cc(O)cc(O)c2c1=O CC1=C[C@H](c2cc(ccc2O)-c2coc3cc(O)cc(O)c3c2=O)[C@@](C)(CC1)\C=C\c1cc(ccc1O)-c1coc2cc(O)cc(O)c2c1=O is A hydroxyisoflavone, isoflavone dimer obtained from Ficus mucuso. It has the role of EC 3.2.1.31 (beta-glucuronidase) inhibitor . It has the role of plant metabolite . It is also related to or classified as hydroxyisoflavone .
The molecule C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)oc(cc4=O)-c3ccc(O)c(O)c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)oc(cc4=O)-c3ccc(O)c(O)c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O is A disaccharide derivative that is luteolin  substituted by a 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has the role of metabolite . It has the role of antibacterial agent . Its functional parent is luteolin . It is also related to or classified as neohesperidoside  .  It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as trihydroxyflavone , disaccharide derivative .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC is a phosphatidylcholine 40:4 in which the two acyl substituents at positions 1 and 2 are specified as stearoyl and (7Z,10Z,13Z,16Z)-docosatetraenoyl respectively. It has a role as a mouse metabolite. It derives from an octadecanoic acid and an all-cis-docosa-7,10,13,16-tetraenoic acid.
The molecule COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1 COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1 is an antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system. It has the role of anticoronaviral agent . It has the role of antimicrobial agent . It has the role of antiparasitic agent . It has the role of antineoplastic agent . It has the role of protein synthesis inhibitor . It has the role of DNA synthesis inhibitor . It has the role of bacterial metabolite . It is also related to or classified as organonitrogen heterocyclic antibiotic , monohydroxypyrrolidine .
The molecule O([C@H]1[C@H](O)[C@H](OC(O)[C@@H]1O)CO)[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O O([C@H]1[C@H](O)[C@H](OC(O)[C@@H]1O)CO)[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O is A glycosylglucose consisting of a beta-D-xylopyranose residue and a D-glucopyranose residue joined in sequence by a (1->3) glycosidic bond. Its functional parent is beta-D-xylose . Its functional parent is D-glucopyranose . It is also related to or classified as glycosylglucose .
The molecule CC(=CCN1C2=C(C=CC(=C2)OC)C3=C1[C@@H](N4C(=O)[C@@H]5CCCN5C(=O)[C@@]4([C@H]3O)O)C=C(C)C)C is an organic heteropentacyclic compound that is a mycotoxic indole alkaloid produced by several fungi via a tryptophan-proline diketopiperazine intermediate. It has a role as a mycotoxin. It is an organic heteropentacyclic compound and an indole alkaloid.
The molecule CCCCCC(=O)NCC(=O)c1ccc(O)cc1 CCCCCC(=O)NCC(=O)c1ccc(O)cc1 is N-[2-(4-Hydroxyphenyl)-2-oxoethyl]hexanamide. It has the role of metabolite . It is also related to or classified as acetophenones .
The molecule [H]\C(C)=C1/CN2[C@@]3([H])C[C@]1([H])[C@@]([H])(CO)[C@@]2([H])Cc1c3[nH]c2ccccc12 [H]\C(C)=C1/CN2[C@@]3([H])C[C@]1([H])[C@@]([H])(CO)[C@@]2([H])Cc1c3[nH]c2ccccc12 is an indole alkaloid that is sarpagan bearing a hydroxy group at position 17. Its functional parent is sarpagan . It is also related to or classified as primary alcohol  . It is also related to or classified as indole alkaloid , tertiary amino compound .
The molecule CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)NC(=O)C)O)O)O is an amino disaccharide consisting of N-acetylneuraminic acid and D-glucopyranose residues joined in sequence by a (1->6) glycosidic bond. It is a member of neuraminic acids, an amino disaccharide and a member of acetamides.
The molecule CS(=O)C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F is a member of the class of imidazoles carrying 4-methylsulfinylphenyl, 4-pyridyl and 4-fluorophenyl substituents at positions 2, 4 and 5 respectively. An inhibitor of mitogen-activated protein kinase. It has a role as an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor, a Hsp90 inhibitor, a neuroprotective agent and an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is a member of imidazoles, a member of monofluorobenzenes, a member of pyridines and a sulfoxide.
The molecule C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)CC(C)C)CC(=O)N)CO)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N5CCC[C@H]5C(=O)N)O is a 32-membered heterodetic cyclic peptide comprising the sequence Cys-Ser-Asn-Leu-Ser-Thr-Cys-Val-Leu-Gly-Lys-Leu-Ser-Gln-Glu-Leu-His-Lys-Leu-Gln-Thr-Tyr-Pro-Arg-Thr-Asn-Thr-Gly-Ser-Gly-Thr-Pro-NH2 cyclised by a disulfide bridge between the two Cys residues at positions 1 and 7. It has a role as a metabolite and a bone density conservation agent. It is a heterodetic cyclic peptide, a polypeptide and a peptide hormone.
The molecule CC(C)CCC(=O)NCC(=O)c1ccc(O)cc1 CC(C)CCC(=O)NCC(=O)c1ccc(O)cc1 is N-[2-(4-Hydroxyphenyl)-2-oxoethyl]-4-methylpentanamide. It has the role of metabolite . It is also related to or classified as acetophenones .
The molecule C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)O is a monocarboxylic acid comprising acetic acid substituted at the alpha carbon with a 2-nitrophenoxy group. It is a monocarboxylic acid, a C-nitro compound and an aromatic ether.
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OCC=2C=CC=CC2O)CO O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OCC=2C=CC=CC2O)CO is A beta-D-glucoside that is beta-D-glucopyranose in which the hydroxy group at position 1R is substituted by a (2-hydroxybenzyl)oxy group. It is isolated from the flowers of Filipendula ulmaria. It has the role of plant metabolite . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as phenols  . It is also related to or classified as monosaccharide derivative .
The molecule CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@@H](CO2)C)CC3=CC=CC=N3)C)OC)C CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@@H](CO2)C)CC3=CC=CC=N3)C)OC)C is N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCC/C=C\\CCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C is an O-acylcarnitine having (11Z)-eicoseneoyl as the acyl substituent. It has a role as a metabolite. It is an O-acylcarnitine, an ammonium betaine and a carboxylic ester. It derives from a carnitine.
The molecule CSCCCCCC/C=N/O is a 7-(methylsulfanyl)heptanal oxime in which the oxime moiety has E configuration. It is an omega-(methylsulfanyl)-(E)-alkanal oxime and a 7-(methylsulfanyl)heptanal oxime.
The molecule CC(C)CC(=O)N\C=C\c1ccc(O)cc1 CC(C)CC(=O)N\C=C\c1ccc(O)cc1 is N-[(E)-2-(4-Hydroxyphenyl)ethenyl]-3-methylbutanamide. It has the role of metabolite . It is also related to or classified as styrenes .
The molecule O1[C@@H]([C@H](O)[C@H](O)[C@H]1O)[C@@H](O)CO O1[C@@H]([C@H](O)[C@H](O)[C@H]1O)[C@@H](O)CO is an L-gulofuranose in which the anomeric centre has beta- configuration. It is also related to or classified as L-gulofuranose  .
The molecule C[C@H]1CC[C@H]2[C@H](C2(C)C)/C=C(/C(=O)/C=C/[C@@]3([C@@H](O3)C(=O)C1)C)\\C is a macrocyclic diterpenoid isolated from the soft coral Sinularia microclavata and has been shown to exhibit cytotoxic activities against tumor cell lines. It has a role as an antineoplastic agent and a coral metabolite. It is a diterpenoid, a macrocycle, an enone and an epoxide.
The molecule [H]C(=O)C(\CC(O)=O)=C/C=C(\O)C(O)=O [H]C(=O)C(\CC(O)=O)=C/C=C(\O)C(O)=O is 5-formyl-2-hydroxyhepta-2,4-dienedioic acid. It is a conjugate acid of 5-formyl-2-hydroxyhepta-2,4-dienedioate . It is also related to or classified as muconic semialdehyde .
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)CC1CCC(=O)O1 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)CC1CCC(=O)O1 is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 5-oxo-furan-2-acetic acid. Its functional parent is adipoyl-CoA . It is also related to or classified as acyl-CoA  . It is also related to or classified as gamma-lactone  .
The molecule C[C@H](CN)C(=O)O is the (R)-enantiomer of 3-aminoisobutyric acid. It is a conjugate acid of a (R)-3-aminoisobutyrate. It is an enantiomer of a (S)-3-aminoisobutyric acid. It is a tautomer of a (R)-3-aminoisobutyric acid zwitterion.
The molecule CC(=O)NCC(=O)c1ccc(O)cc1 CC(=O)NCC(=O)c1ccc(O)cc1 is N-[2-(4-Hydroxyphenyl)-2-oxoethyl]acetamide. It has the role of metabolite . It is also related to or classified as acetophenones .
The molecule C1=C(C=[N+](C=C1C(=O)S)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O is an acyclic mixed acid anhydride obtained by condensation of one of the carboxy group of pyridinium-3-sulfanylcarbonyl-5-carboxylic acid mononucleotide with the phosphste group of AMP. It is an acyclic mixed acid anhydride, an adenosine 5'-phosphate and a pyridine nucleotide. It derives from an adenosine 5'-monophosphate and a pyridinium-3,5-biscarboxylic acid mononucleotide. It is a conjugate acid of a 1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate(3-).
The molecule C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N6CCOCC6C#N)O is a member of morpholines, a nitrile, a primary alpha-hydroxy ketone and a tertiary alpha-hydroxy ketone. It has a role as an antineoplastic agent. It derives from a doxorubicin.
The molecule Cl[C@@H]1C=C[C@@H](O)[C@H]2[C@]1(O)C[C@]34SSS[C@H]([C@H](C(N3O2)=O)N(C4=O)C)C5=C(O)C(OC)=C(OC)C=C5 Cl[C@@H]1C=C[C@@H](O)[C@H]2[C@]1(O)C[C@]34SSS[C@H]([C@H](C(N3O2)=O)N(C4=O)C)C5=C(O)C(OC)=C(OC)C=C5 is Penigainamide A. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C[C@@H](NC(=O)C)P(=O)(O)O is a member of the class of acetamides obtained by formal condensation of acetic acid with the amino group of (S)-(1-aminoethyl)phosphonic acid. It is a member of acetamides and a member of phosphonic acids. It derives from a (S)-(1-aminoethyl)phosphonic acid. It is a conjugate acid of a [(S)-1-acetamidoethyl]phosphonate(1-).
The molecule CCCC(=O)NCC(=O)c1ccc(O)cc1 CCCC(=O)NCC(=O)c1ccc(O)cc1 is N-[2-(4-Hydroxyphenyl)-2-oxoethyl]butanamide. It has the role of metabolite . It is also related to or classified as acetophenones .
The molecule COC1=CC(=CC(=C1[O-])O)C(=O)O is a member of the class of benzoates that results from the removal of a proton from the carboxylic acid group of 3-O-methylgallic acid. It derives from a gallate. It is a conjugate base of a 3-O-methylgallic acid.
The molecule OC([C@H]([C@H](CC)C)N[C@H]1[C@@]2([C@@]([C@@]3([C@]4([C@](O2)([C@H](O)C3)[H])OC4)C)([C@@H](C(=O)C1C)O)CO)[H])=O OC([C@H]([C@H](CC)C)N[C@H]1[C@@]2([C@@]([C@@]3([C@]4([C@](O2)([C@H](O)C3)[H])OC4)C)([C@@H](C(=O)C1C)O)CO)[H])=O is DON-10-isoleucine. Its functional parent is deoxynivalenol . Its functional parent is L-isoleucine . It is also related to or classified as trichothecene  .
The molecule CCOC1=CC=CC(=C1)C(=O)O is an ethoxybenzoic acid carrying an ethoxy substituent at position 3. It derives from a benzoic acid. It is a conjugate acid of a 3-ethoxybenzoate.
The molecule CC(C)CC(=O)NCC(=O)c1ccc(O)cc1 CC(C)CC(=O)NCC(=O)c1ccc(O)cc1 is N-[2-(4-Hydroxyphenyl)-2-oxoethyl]-3-methylbutanamide. It has the role of metabolite . It is also related to or classified as acetophenones .
The molecule C(CC(=O)N[C@@H](CS)C(=O)NCCC(=O)[O-])[C@@H](C(=O)[O-])[NH3+] is the conjugate base of L-gamma-glutamyl-L-cysteinyl-beta-alanine having an anionic carboxy terminus and a zwitterionic gamma-glutamyl residue; major species at pH 7.3. It is a conjugate base of a L-gamma-glutamyl-L-cysteinyl-beta-alanine.
The molecule O=C1OC2=C3C(=O)[C@H](OC(=O)C)[C@@H]([C@]3(CC[C@]4(C2=C1[C@@H](O)CC4)C)C)C(C)C O=C1OC2=C3C(=O)[C@H](OC(=O)C)[C@@H]([C@]3(CC[C@]4(C2=C1[C@@H](O)CC4)C)C)C(C)C is Guanacastepene N. It is also related to or classified as ketone  . It is also related to or classified as carboxylic ester  .
The molecule CC(=O)CC(=O)CC(O)=O CC(=O)CC(=O)CC(O)=O is A dioxo monocarboxylic acid comprising hexanoic acid with the two oxo groups placed at the 3- and 5-positions. It is a conjugate acid of triacetate(1-) . It is also related to or classified as dioxo monocarboxylic acid , beta-diketone .
The molecule CCCCCCCC/C=C\\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CC)COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O is a 1-phosphatidyl-1D-myo-inositol in which the phosphatidyl acyl groups at positions 1 and 2 are specified as (8Z,11Z,14Z,17Z)-icosatetraenoyl and (11Z)-icosenoyl respectively. It has a role as a human metabolite. It derives from an (11Z)-icos-11-enoic acid and an all-cis-8,11,14,17-icosatetraenoic acid.
The molecule [H][C@]12O[C@@]1(C(=C)CO)C(=O)C=C1[C@@H](CC[C@H](C)[C@@]21C)OC(=O)C(O)(CO)CC(C)CC(C)C(C)O [H][C@]12O[C@@]1(C(=C)CO)C(=O)C=C1[C@@H](CC[C@H](C)[C@@]21C)OC(=O)C(O)(CO)CC(C)CC(C)C(C)O is xylarenone E. It has the role of metabolite . It is also related to or classified as sesquiterpenoid .
The molecule C1=CC=C2C(=C1)C(=CN2)C3=C(NC(=C3C4=CNC5=CC=CC=C54)C(=O)O)C(=O)O is a pyrroledicarboxylic acid that is pyrrole-2,5-dicarboxylic acid in which the hydrogens at positions 3 and 4 have been replaced by indol-3-yl groups. It has a role as a bacterial metabolite. It is a member of indoles and a pyrroledicarboxylic acid. It is a conjugate acid of a chromopyrrolate(2-).
The molecule O([C@H]1[C@H](O)[C@H](O[C@@H](O)[C@@H]1NC(=O)C)CO[C@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO O([C@H]1[C@H](O)[C@H](O[C@@H](O)[C@@H]1NC(=O)C)CO[C@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO is an amino disaccharide that is 2-acetamido-2-deoxy-beta-D-glucopyranose in which the hydroxy groups at positions 3 and 6 have been converted into the corresponding 2-acetamido-2-deoxy-beta-D-glucopyranosyl and beta-L-fucopyanosyl derivatives, respectively. It is also related to or classified as acetamides , glucosamine oligosaccharide , amino trisaccharide .
The molecule C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)CC4CC4 C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)CC4CC4 is N-[(5R,6R,9R)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-fluorobenzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)NC(=O)C)O)CO)CO)O)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O is a tetrasaccharide comprising residues of galactose, N-acetylglucosamine, galactose and N-acetylglucosamine units in a linear sequence, all joined by beta-linkages. It is an amino tetrasaccharide and a glucosamine oligosaccharide.
The molecule CC(C)C1=C(C(=O)C2=C(C1=O)[C@@]3(C[C@@H]4[C@](C2)(O3)CCCC4(C)C)O)OC is a tetracyclic diterpenoid isolated from Dracocephalum komarovii and has been shown to exhibit trypanocidal activity. It has a role as a metabolite and a trypanocidal drug. It is a tetracyclic diterpenoid, a bridged compound, a lactol and a member of p-quinones.
The molecule [H][C@]12O[C@@]1(C(=C)CO)C(=O)C=C1[C@@H](CC[C@H](C)[C@@]21C)OC(=O)C(O)(CO)CC(C)CC(C)CC [H][C@]12O[C@@]1(C(=C)CO)C(=O)C=C1[C@@H](CC[C@H](C)[C@@]21C)OC(=O)C(O)(CO)CC(C)CC(C)CC is Xylarenone D. It has the role of metabolite . It is also related to or classified as sesquiterpenoid .
The molecule Cc1c(O)ccc2c(O)c(N)c(=O)oc12 Cc1c(O)ccc2c(O)c(N)c(=O)oc12 is A hydroxycoumarin that is 4,7-dihydroxycoumarin bearing additional amino and methyl substituents at positions 3 and 8 respectively. It has the role of metabolite . It is also related to or classified as hydroxycoumarin .
The molecule C[C@@H]1[C@H](C(=O)O[C@H]1[C@@H]2[C@H]([C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4CCC6=CC(=O)C=C[C@]56C)C(=O)O2)C)C is a withanolide that is 18,22:23,26-diepoxyergosta-1,4-diene substituted by oxo groups at positions 3, 18 and 26. It has been isolated from a Formosan soft coral Paraminabea acronocephala. It has a role as a coral metabolite. It is a gamma-lactone, an enone, an ergostanoid and a withanolide.
The molecule [H]C(=O)N(CC1=Nc2c(NC1)nc(N)[nH]c2=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O [H]C(=O)N(CC1=Nc2c(NC1)nc(N)[nH]c2=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O is the 10-formyl derivative of dihydrofolic acid. It is a conjugate acid of 10-formyldihydrofolate(2-) . It is also related to or classified as dihydrofolic acids .
The molecule C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CC=CC=C3 C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CC=CC=C3 is N-[(5R,6S,9R)-8-benzoyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C(=C5)O)O)O)O)O)CO)O)O)O)O)O is an anthocyanidin 3-O-beta-D-sambubioside having delphinidin as the anthocyanidin component. It has a role as a metabolite and an apoptosis inducer. It derives from a delphinidin.
The molecule [H][C@]12O[C@@]1(C(=C)CO)C(=O)C=C1[C@@H](CC[C@H](C)[C@@]21C)OC(=O)C(C)CC(C)CC(C)CC [H][C@]12O[C@@]1(C(=C)CO)C(=O)C=C1[C@@H](CC[C@H](C)[C@@]21C)OC(=O)C(C)CC(C)CC(C)CC is Xylarenone C, (rel)-. It has the role of metabolite . It is also related to or classified as sesquiterpenoid .
The molecule C1O[C@]21[C@]3([C@@]4([C@@](C=C(C)C([C@H]4O)=O)(O[C@@]2([C@H](OS(=O)(=O)O)C3)[H])[H])CO)C C1O[C@]21[C@]3([C@@]4([C@@](C=C(C)C([C@H]4O)=O)(O[C@@]2([C@H](OS(=O)(=O)O)C3)[H])[H])CO)C is DON-3-sulfate. Its functional parent is deoxynivalenol . It is also related to or classified as trichothecene  .
The molecule 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 is dianion of ADP-L-glycero-D-manno-heptose arising from deprotonation of both free OH groups of the diphosphate. It is a conjugate base of an ADP-L-glycero-D-manno-heptose.
The molecule [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@H]2OC(C)(C)O[C@@]12C(C)=O [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@H]2OC(C)(C)O[C@@]12C(C)=O is A cyclic ketal that is the 16alpha,17alpha-acetonide derivative of algestone. It has the role of anti-inflammatory drug . Its functional parent is algestone .  It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as 20-oxo steroid , cyclic ketal .