anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)S(=O)(=O)C3=CC=C(C=C3)F)[C@@H](C)CO C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)S(=O)(=O)C3=CC=C(C=C3)F)[C@@H](C)CO is 4-fluoro-N-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylbenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=CC=CC=N4 C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=CC=CC=N4 is 1-(2,5-difluorophenyl)-3-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O(C(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)CC(COC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O O(C(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)CC(COC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O is triarachidonin. Its functional parent is arachidonate . It is also related to or classified as triacylglycerol 60:12  .
The molecule [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.NC(=[NH2+])NCCCc1[nH+]ccc2c3ccc(Br)cc3[nH]c12 [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.NC(=[NH2+])NCCCc1[nH+]ccc2c3ccc(Br)cc3[nH]c12 is opacaline C. It has the role of metabolite . It is also related to or classified as organic molecular entity .
The molecule CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4 is an indazole substituted at position 3 by a 2-(pyridin-2-yl)vinyl group and at position 6 by a 2-(N-methylaminocarboxy)phenylsulfanyl group. Used for the treatment of advanced renal cell carcinoma after failure of a first line systemic treatment. It has a role as an antineoplastic agent, a tyrosine kinase inhibitor and a vascular endothelial growth factor receptor antagonist. It is a member of indazoles, a member of pyridines, an aryl sulfide and a member of benzamides.
The molecule [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.NC(=[NH2+])NCCCCc1[nH+]ccc2c3ccc(Br)cc3n(O)c12 [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.NC(=[NH2+])NCCCCc1[nH+]ccc2c3ccc(Br)cc3n(O)c12 is opacaline B. It has the role of metabolite . It is also related to or classified as organic molecular entity .
The molecule CCCCN1C2=C(C=CC(=C2)OC)C3=C1C(=NC=C3)C is a member of the class of beta-carbolines that is 9H-beta-carboline substituted by a butyl group at position 9, methoxy group at position 7 and a methyl group at position 1. It is semisynthetic derivative of harmine and has been shown to exhibit significant anti-HIV activity. It has a role as an anti-HIV agent. It is an aromatic ether, a member of beta-carbolines and a semisynthetic derivative. It derives from a harmine.
The molecule [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.NC(=[NH2+])NCCCCc1[nH+]ccc2c3ccc(Br)cc3[nH]c12 [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.NC(=[NH2+])NCCCCc1[nH+]ccc2c3ccc(Br)cc3[nH]c12 is opacaline A. It has the role of metabolite . It is also related to or classified as organic molecular entity .
The molecule CCC1=C(NC(=C1C)CC2C(=C(C(=O)N2)C)C=C)CC3=C(C4=C(N3)/C(=C\\5/[C@H]([C@@H]([C@H](N5)C(=O)O)C)CCC(=O)O)/C(=O)C4=O)C is a member of the class of bilenes that is 1,2,3,21-tetrahydro-5,7-ethanobilene-a-19(16H),5(1),5(2)-trione which is substituted at positions 2, 8, 13 and 18 by methyl groups and at positions 1, 3, 12 and 17 by carboxy, 2-carboxyethyl, ethyl and vinyl groups, respectively (the 1S,2S,3S diastereoisomer). It has a role as a member of oxidized luciferins. It is a member of bilenes, an oxo dicarboxylic acid, an amino dicarboxylic acid and a non-proteinogenic L-alpha-amino acid. It is a conjugate acid of an oxidized dinoflagellate luciferin(2-).
The molecule CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)C(=O)C3=CC=NC=C3)C CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)C(=O)C3=CC=NC=C3)C is N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(pyridin-4-yl)methyl]-2-oxa-5,10-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 CCC1=CC2=C(N=C(N=C2S1)C)NCC3=CC=CC=C3 CCC1=CC2=C(N=C(N=C2S1)C)NCC3=CC=CC=C3 is 6-ethyl-2-methyl-N-(phenylmethyl)-4-thieno[2,3-d]pyrimidinamine. It is also related to or classified as thienopyrimidine  . It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule NC(=N)NCCCC[C@@H]1NCCc2c1[nH]c1cc(Br)ccc21 NC(=N)NCCCC[C@@H]1NCCc2c1[nH]c1cc(Br)ccc21 is (-)-7-bromohomotrypargine. It has the role of metabolite . It is also related to or classified as harmala alkaloid .
The molecule [O-][Cr](=O)(=O)[O-] is a chromium oxoanion resulting from the removal of two protons from chromic acid. It has a role as an oxidising agent. It is a divalent inorganic anion and a chromium oxoanion. It is a conjugate base of a hydrogenchromate.
The molecule C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)N(C[C@H]1OC)C)C)C C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)N(C[C@H]1OC)C)C)C is 4-chloro-N-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3 COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3 is 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid methyl ester. It is also related to or classified as alpha-amino acid ester  .
The molecule [H][C@@]1(O[C@@H](Oc2ccc(\C=C(/C)C(=O)N[C@@H]3[C@H](O)[C@@H](O)[C@@]4([H])OCO[C@@]4([H])[C@@H]3O)cc2O)[C@@H](O)[C@@H]1O)[C@H](C)O [H][C@@]1(O[C@@H](Oc2ccc(\C=C(/C)C(=O)N[C@@H]3[C@H](O)[C@@H](O)[C@@]4([H])OCO[C@@]4([H])[C@@H]3O)cc2O)[C@@H](O)[C@@H]1O)[C@H](C)O is 5''-dihydrohygromycin A. It has the role of metabolite . It is also related to or classified as hydroxycinnamic acid .
The molecule CC1=C(C(=CC2=CC3=C(C(=C12)[O-])C(=O)C4=C(C3=O)C=C(C=C4[O-])O)O)C(=O)O is a hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy and 8-hydroxy groups of tetracenomycin D3. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a hydroxy monocarboxylic acid anion and a phenolate anion. It is a conjugate base of a tetracenomycin D3(1-).
The molecule [H][C@@]1(O[C@@H](Oc2ccc(\C=C(/C)C(=O)N[C@@H]3[C@H](O)[C@@H](O)[C@@]4([H])OCO[C@@]4([H])[C@@H]3O)cc2O)[C@@H](O)[C@@H]1O)C(C)=O [H][C@@]1(O[C@@H](Oc2ccc(\C=C(/C)C(=O)N[C@@H]3[C@H](O)[C@@H](O)[C@@]4([H])OCO[C@@]4([H])[C@@H]3O)cc2O)[C@@H](O)[C@@H]1O)C(C)=O is hygromycin A. It has the role of metabolite . It is also related to or classified as hydroxycinnamic acid .
The molecule CNC1=NC2=C(C(=O)N1)NC=N2 is a methylguanine in which the methyl group is located at the N2-position. It has a role as a human metabolite. It is a methylguanine and a secondary amino compound.
The molecule CN(C1CCCCC1N2CCCC2)C(=O)C3=CC(=C(C=C3)Cl)Cl CN(C1CCCCC1N2CCCC2)C(=O)C3=CC(=C(C=C3)Cl)Cl is 3,4-dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]benzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule CC\C=C\[C@H]1C\C=C\C=C/[C@H](OC)[C@@H](O)[C@@H](O)[C@@H](C)\C=C\C[C@@H](C)\C=C\C=C(C)\C=C\C(=O)O1 CC\C=C\[C@H]1C\C=C\C=C/[C@H](OC)[C@@H](O)[C@@H](O)[C@@H](C)\C=C\C[C@@H](C)\C=C\C=C(C)\C=C\C(=O)O1 is chaxalactin C, rel-. It has the role of metabolite . It is also related to or classified as macrolide  .
The molecule CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O is a 1,3-thiazolemonocarboxylic acid that is 4-methyl-1,3-thiazole-5-carboxylic acid which is substituted by a 3-cyano-4-(2-methylpropoxy)phenyl group at position 2. It is an orally-active, potent, and selective xanthine oxidase inhibitor used for the treatment of chronic hyperuricaemia in patients with gout. It has a role as an EC 1.17.3.2 (xanthine oxidase) inhibitor. It is an aromatic ether, a nitrile and a 1,3-thiazolemonocarboxylic acid.
The molecule C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@@H]1OC)C)C C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@@H]1OC)C)C is N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC\C=C\[C@H]1C\C=C\C=C/[C@H](O)[C@@H](O)[C@@H](O)[C@@H](C)\C=C\C[C@@H](C)\C=C\C=C(C)\C=C\C(=O)O1 CC\C=C\[C@H]1C\C=C\C=C/[C@H](O)[C@@H](O)[C@@H](O)[C@@H](C)\C=C\C[C@@H](C)\C=C\C=C(C)\C=C\C(=O)O1 is chaxalactin B, rel-. It has the role of metabolite . It is also related to or classified as macrolide  .
The molecule C([C@@H]1[C@H]([C@@H](C(O1)O)O)O)OP(=O)([O-])[O-] is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of D-arabinofuranose-5-phosphate; major species at pH 7.3. It is a conjugate acid of a D-arabinofuranose 5-phosphate.
The molecule CC\C=C\[C@H]1C\C=C\C=C/[C@H](O)C[C@@H](O)[C@@H](C)\C=C\C[C@@H](C)\C=C\C=C(C)\C=C\C(=O)O1 CC\C=C\[C@H]1C\C=C\C=C/[C@H](O)C[C@@H](O)[C@@H](C)\C=C\C[C@@H](C)\C=C\C=C(C)\C=C\C(=O)O1 is chaxalactin A, (rel)-. It has the role of metabolite . It is also related to or classified as macrolide  .
The molecule CC(C(CC(=O)O)C(=O)O)(C(=O)O)O is a tricarboxylic acid that is butan-2-ol in which a hydrogen from each of positions 2, 3, and 4 has been replaced by carboxy groups. It is a tricarboxylic acid, a methylisocitric acid and a tertiary alcohol. It is a conjugate acid of a 3-hydroxybutane-1,2,3-tricarboxylate.
The molecule C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F is N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)C1O)CO[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)C1O)CO[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO is A glucooligosaccharide consisting of six alpha-D-glucopyranosyl residues and a D-glucopyranosyl residue connected in sequence by (1->6) glycosidic linkages. It is also related to or classified as glucooligosaccharide , heptasaccharide .
The molecule C1=CC=CC(CC2=CC(C(=CN2C3=CC=C(C=C3)F)C(=O)N)=O)=C1 C1=CC=CC(CC2=CC(C(=CN2C3=CC=C(C=C3)F)C(=O)N)=O)=C1 is A member of the class of 4-pyridones that is  nygerone B in which the N-phenyl substituent has been fluorinated at the para position. It has been isolated from Aspergillus niger ATCC 1015. It has the role of Aspergillus metabolite . Its functional parent is nygerone B .  It is also related to or classified as monocarboxylic acid amide  .  It is also related to or classified as monofluorobenzenes  . It is also related to or classified as 4-pyridones , biaryl .
The molecule C1C[NH2+]C[C@H]1OC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)O[C@H]4CC[NH2+]C4)C5=CC=C(C=C5)F)C6=CC(=C(C=C6)F)F.[Cl-].[Cl-] is the hydrochloride salt of 3',4'-difluoro-N-{4'-fluoro-6-[(3S)-pyrrolidin-3-yloxy][biphenyl]-3-yl}-6-[(3S)-pyrrolidin-3-yloxy][biphenyl]-3-carboxamide. It is a beta-catenin/BCL9 protein-protein interaction inhibitor (Ki = 2.1 muM). It has a role as a Wnt signalling inhibitor and an antineoplastic agent. It contains a 3',4'-difluoro-N-{4'-fluoro-6-[(3S)-pyrrolidin-3-yloxy][biphenyl]-3-yl}-6-[(3S)-pyrrolidin-3-yloxy][biphenyl]-3-carboxamide(2+).
The molecule COC1=CC=CC(=C1)NC2=NC=NC3=CC=CC=C32 COC1=CC=CC(=C1)NC2=NC=NC3=CC=CC=C32 is A member of the class of quinazolines that is quinazoline which is substituted by a (3-methoxyphenyl)nitrilo group at position 4. It is also related to or classified as monomethoxybenzene , quinazolines , substituted aniline , secondary amino compound .
The molecule C=1C=C(C=CC1)CC2=CC(C(C(=O)N)=CN2C3=CC=CC=C3)=O C=1C=C(C=CC1)CC2=CC(C(C(=O)N)=CN2C3=CC=CC=C3)=O is A member of the class of 4-pyridones that is N-phenylpyridin-4-one which is substituted by a benzyl group at position 2 and an aminocarbonyl group at position 5. It has been isolated from Aspergillus niger ATCC 1015. It has the role of Aspergillus metabolite .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as 4-pyridones , biaryl .
The molecule C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@H]([C@H]2O)O)O[C@H]3[C@@H]([C@H](OC([C@H]3O)O)CO)O)CO)O)O)O)O is a mannotriose consisting of two beta-D-mannopyranose residues and a D-mannopyranose residue joined in sequence by (1->4) and (1->3) glycosidic bonds. It derives from a beta-mannobiose.
The molecule C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@H]1OC)C)C C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@H]1OC)C)C is N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C(=O)NN=CC3=CC=C(C=C3)OCC4=CC=CC=C4 C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C(=O)NN=CC3=CC=C(C=C3)OCC4=CC=CC=C4 is N-[(4-phenylmethoxyphenyl)methylideneamino]-1-(phenylmethyl)-4-pyridin-1-iumcarboxamide. It is also related to or classified as pyridinemonocarboxylic acid , aromatic carboxylic acid .
The molecule C=1C=C(C=CC1)CC2=CC(C(C(=O)NC(C[C@@H](C(O)=O)C)=O)=CN2C3=CC=CC=C3)=O C=1C=C(C=CC1)CC2=CC(C(C(=O)NC(C[C@@H](C(O)=O)C)=O)=CN2C3=CC=CC=C3)=O is A member of the class of 4-pyridones that is nigerone B in which the nitrogen of the carboxamide has been acylated by a (3S)-3-carboxybutanoyl group. It has been isolated from  Aspergillus niger ATCC 1015. It has the role of Aspergillus metabolite . Its functional parent is nygerone B .   It is also related to or classified as dicarboximide  . It is also related to or classified as 4-pyridones , monocarboxylic acid , biaryl .
The molecule C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O is a member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by an additional hydroxy group at position 4'. It has a role as an antineoplastic agent, a phytoestrogen, a plant metabolite, an EC 3.2.1.20 (alpha-glucosidase) inhibitor and an EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor. It is a conjugate acid of a daidzein(1-).
The molecule C(C1=CC(C(=CN1)C(=O)NC(C[C@@H](C(O)=O)C)=O)=O)C=2C=CC=CC2 C(C1=CC(C(=CN1)C(=O)NC(C[C@@H](C(O)=O)C)=O)=O)C=2C=CC=CC2 is A member of the class of 4-pyridones that is aspernigrin A (2-benzyl-4-pyridone-5-carboxamide) in which the nitrogen of the carboxamide has been acylated by a (3S)-3-carboxybutanoyl group. It has been isolated from Aspergillus niger and several other Aspergillus species. It has the role of Aspergillus metabolite . Its functional parent is aspernigrin A .   It is also related to or classified as dicarboximide  . It is also related to or classified as 4-pyridones , monocarboxylic acid .
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)O)O)O)O)O is a disaccharide that is alpha-D-mannopyranose in which the hydroxy group at position 2 has been converted into the corresponding beta-D-arabinopyranoside. It is a beta-D-arabinopyranoside and a glycosylmannose. It derives from an alpha-D-mannose.
The molecule CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CNC3=CC=NC=C3 CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CNC3=CC=NC=C3 is 6-bromo-5-hydroxy-1-methyl-2-[(pyridin-4-ylamino)methyl]-3-indolecarboxylic acid ethyl ester. It is also related to or classified as indolyl carboxylic acid .
The molecule C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCCCC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=CC=CC=C4 C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCCCC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=CC=CC=C4 is N-[(4R,7S,8R)-5-benzoyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COC(=O)[C@@H](C)CC(=O)NC(=O)c1coc(Cc2ccccc2)cc1=O COC(=O)[C@@H](C)CC(=O)NC(=O)c1coc(Cc2ccccc2)cc1=O is (S)-methyl 4-(6-benzyl-4-oxo-4H-pyran-3-carboxamido)-2-methyl-4-oxobutanoate. It has the role of metabolite . It is also related to or classified as 4-pyranones .
The molecule CCN\\1C2=CC=CC=C2O/C1=C\\C=C\\C=C\\C3=[N+](C4=CC=CC=C4O3)CC is the cationic form of a C5 cyanine dye having 3-ethyl-1,3-benzoxazol-2(3H)-yl units at each end. It has a role as a fluorochrome. It is a cyanine dye, a member of 1,3-benzoxazoles and a benzoxazolium ion.
The molecule CC1=C([C@@H](C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC CC1=C([C@@H](C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC is (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[3-(4,4-diphenyl-1-piperidinyl)propyl] ester O3-methyl ester. It is also related to or classified as diarylmethane .
The molecule COC(=O)c1coc(Cc2ccccc2)cc1=O COC(=O)c1coc(Cc2ccccc2)cc1=O is 3-Carbomethoxy-6-benzyl-4-pyrone. It has the role of metabolite . It is also related to or classified as pyrans , carbonyl compound .
The molecule CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O is a tertiary alcohol that is cyclohexanol substituted at positions 1 and 2 by 3-methoxyphenyl and dimethylaminomethyl groups respectively. It is a tertiary amino compound, a tertiary alcohol and an aromatic ether. It derives from a cyclohexanol.
The molecule [O-]C(=O)C(F)(F)F.[H][C@@]12CC[C@@]3([H])[C@@H](C(=O)OC(CC)CCCCCCCCCCCC[C@]4([H])O[C@](O)(CCN)[C@H](O)N(CCCN)C4=O)[C@@]4(CCC[C@H](C)O4)NC(N[C@@]4(CC[C@H](O4)\C=C\CC)C1)=[N+]23 [O-]C(=O)C(F)(F)F.[H][C@@]12CC[C@@]3([H])[C@@H](C(=O)OC(CC)CCCCCCCCCCCC[C@]4([H])O[C@](O)(CCN)[C@H](O)N(CCCN)C4=O)[C@@]4(CCC[C@H](C)O4)NC(N[C@@]4(CC[C@H](O4)\C=C\CC)C1)=[N+]23 is Monanchocidin E, rel-. It has the role of metabolite . It is also related to or classified as organic molecular entity .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC is a 1,2-diacyl-sn-glycerol 3-phosphate in which the 1- and 2-acyl substituent are specified as palmitoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. It derives from a hexadecanoic acid and an all-cis-docosa-4,7,10,13,16,19-hexaenoic acid. It is a conjugate acid of a 1-palmitoyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphate(2-).
The molecule C1CC(C(C(=O)[H])OC1)OC(C)=O C1CC(C(C(=O)[H])OC1)OC(C)=O is A member of the class of oxanes that is oxane which is substituted by a formyl group at position 2 and an acetyloxy group at position 3. It is also related to or classified as aldehyde  .  It is also related to or classified as acetate ester  . It is also related to or classified as oxanes .
The molecule CCCN(CCC(=O)NC1=CC(=CC(=C1)OC)OC)CC2CC2 CCCN(CCC(=O)NC1=CC(=CC(=C1)OC)OC)CC2CC2 is 3-[cyclopropylmethyl(propyl)amino]-N-(3,5-dimethoxyphenyl)propanamide. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)N(C[C@@H]1OC)C)C)C C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)N(C[C@@H]1OC)C)C)C is 4-chloro-N-[(4R,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [O-]C(=O)C(F)(F)F.[H][C@@]12CC[C@@]3([H])[C@@H](C(=O)OCCCCCCCCCCCCCC[C@]4([H])O[C@](O)(CCN)[C@H](O)N(CCCN)C4=O)[C@@]4(CCC[C@H](C)O4)NC(N[C@@]4(CC[C@H](O4)\C=C\CC)C1)=[N+]23 [O-]C(=O)C(F)(F)F.[H][C@@]12CC[C@@]3([H])[C@@H](C(=O)OCCCCCCCCCCCCCC[C@]4([H])O[C@](O)(CCN)[C@H](O)N(CCCN)C4=O)[C@@]4(CCC[C@H](C)O4)NC(N[C@@]4(CC[C@H](O4)\C=C\CC)C1)=[N+]23 is Monanchocidin D, rel-. It has the role of metabolite . It is also related to or classified as organic molecular entity .
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(CCC(=O)[O-])O)O is an acyl-CoA oxoanion that results from the removal of all five protons from the phosphate and carboxylic acid groups of 2-hydroxyglutaryl-CoA. Major structure at pH 7.3 (Marvin 6.2.0) It is a conjugate base of a 2-hydroxyglutaryl-CoA.
The molecule C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)N(C[C@H]1OC)C)C)C C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)N(C[C@H]1OC)C)C)C is 4-chloro-N-[(4S,7S,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1=C([C@H](C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC CC1=C([C@H](C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC is (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[3-(4,4-diphenyl-1-piperidinyl)propyl] ester O3-methyl ester. It is also related to or classified as diarylmethane .
The molecule [O-]C(=O)C(F)(F)F.[H][C@@]12CC[C@@]3([H])[C@@H](C(=O)OCCCCCCCCCCCCCCC[C@]4([H])O[C@](O)(CCN)[C@H](O)N(CCCN)C4=O)[C@@]4(CCC[C@H](C)O4)NC(N[C@@]4(CCC=C[C@@H](CC)O4)C1)=[N+]23 [O-]C(=O)C(F)(F)F.[H][C@@]12CC[C@@]3([H])[C@@H](C(=O)OCCCCCCCCCCCCCCC[C@]4([H])O[C@](O)(CCN)[C@H](O)N(CCCN)C4=O)[C@@]4(CCC[C@H](C)O4)NC(N[C@@]4(CCC=C[C@@H](CC)O4)C1)=[N+]23 is Monanchocidin C, rel-. It has the role of metabolite . It is also related to or classified as organic molecular entity .
The molecule CC(C(C)O)C(=O)O is a 3-hydroxy monocarboxylic acid that is butyric acid which is substituted by a methyl group and a hydroxy group at positions 2 and 3, respectively. It derives from a butyric acid. It is a conjugate acid of a 2-methyl-3-hydroxybutyrate.
The molecule C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC is 1-[(5R,6S,9R)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [O-]C(=O)C(F)(F)F.[H][C@@]12CC[C@@]3([H])[C@@H](C(=O)OCCCCCCCCCCCCCC[C@]4([H])O[C@](O)(CCN)[C@H](O)N(CCCN)C4=O)[C@@]4(CCC[C@H](C)O4)NC(N[C@@]4(CCC=C[C@@H](CC)O4)C1)=[N+]23 [O-]C(=O)C(F)(F)F.[H][C@@]12CC[C@@]3([H])[C@@H](C(=O)OCCCCCCCCCCCCCC[C@]4([H])O[C@](O)(CCN)[C@H](O)N(CCCN)C4=O)[C@@]4(CCC[C@H](C)O4)NC(N[C@@]4(CCC=C[C@@H](CC)O4)C1)=[N+]23 is Monanchocidin B, rel-. It has the role of metabolite . It is also related to or classified as organic molecular entity .
The molecule C=C(CCC(=O)O)C(=O)O is a dicarboxylic acid comprising a glutaric acid core with a methylene group at the 2-position. It derives from a glutaric acid. It is a conjugate acid of a 2-methylideneglutarate(2-).
The molecule CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)C=C3C(=O)N(C(=O)S3)CCN)OC CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)C=C3C(=O)N(C(=O)S3)CCN)OC is 2,5-dimethylbenzenesulfonic acid [4-[[3-(2-aminoethyl)-2,4-dioxo-5-thiazolidinylidene]methyl]-2-methoxyphenyl] ester. It is also related to or classified as benzenesulfonate ester  .