anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C=12N3C(=CC4=[N+]5C(=CC=6N7C=8C(=C9[N+](=C(C1)[C@H]([C@@H]9CCC([O-])=O)C)[Mg-2]735)[C-](C(C8C6C)=O)C(=O)OC)/C(/[C@H]4C)=C\C)C(=C2C)C=C C=12N3C(=CC4=[N+]5C(=CC=6N7C=8C(=C9[N+](=C(C1)[C@H]([C@@H]9CCC([O-])=O)C)[Mg-2]735)[C-](C(C8C6C)=O)C(=O)OC)/C(/[C@H]4C)=C\C)C(=C2C)C=C is A cyclic tetrapyrrole anion that is obtained from bacteriochlorophyllide g via deprotonation of the carboxy group and formation of a carbide ion. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It has the role of bacterial metabolite . It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as cyclic tetrapyrrole anion .
The molecule C1(=C(N=CC(=N1)N(CCCCOCC(NS(C)(=O)=O)=O)C(C)C)C2=CC=CC=C2)C3=CC=CC=C3 C1(=C(N=CC(=N1)N(CCCCOCC(NS(C)(=O)=O)=O)C(C)C)C2=CC=CC=C2)C3=CC=CC=C3 is A member of the class of pyrazines that is N-(methanesulfonyl)-2-{4-[(propan-2-yl)(pyrazin-2-yl)amino]butoxy}acetamide carrying two additional phenyl substituents at positions 5 and 6 on the pyrazine ring. An orphan drug used for the treatment of pulmonary arterial hypertension. It is a prodrug for ACT-333679 (the free carboxylic acid). It has the role of vasodilator agent . It has the role of prodrug . It has the role of platelet aggregation inhibitor . It has the role of orphan drug . It has the role of prostacyclin receptor agonist . Its functional parent is ACT-333679 . It is also related to or classified as ether  . It is also related to or classified as monocarboxylic acid amide  .    It is also related to or classified as N-sulfonylcarboxamide  . It is also related to or classified as aromatic amine , pyrazines , tertiary amino compound .
The molecule C1(=C(N=CC(=N1)N(CCCCOCC(O)=O)C(C)C)C2=CC=CC=C2)C3=CC=CC=C3 C1(=C(N=CC(=N1)N(CCCCOCC(O)=O)C(C)C)C2=CC=CC=C2)C3=CC=CC=C3 is A member of the class of pyrazines that is {4-[(propan-2-yl)(pyrazin-2-yl)amino]butoxy}acetic acid carrying two additional phenyl substituents at positions 5 and 6 on the pyrazine ring. The active metabolite of selexipag, an orphan drug used for the treatment of pulmonary arterial hypertension. It has the role of vasodilator agent . It has the role of drug metabolite . It has the role of platelet aggregation inhibitor . It has the role of orphan drug . It has the role of prostacyclin receptor agonist .  It is also related to or classified as ether  .  It is also related to or classified as sulfonamide  . It is also related to or classified as monocarboxylic acid , aromatic amine , pyrazines , tertiary amino compound .
The molecule C=1(S(N(CC=2C=CC(=CC2)C3=CC=CC(=C3)S(C)(=O)=O)CCC=4C=C(C=CC4)Br)(=O)=O)C(=CC(=CC1C)C)C C=1(S(N(CC=2C=CC(=CC2)C3=CC=CC(=C3)S(C)(=O)=O)CCC=4C=C(C=CC4)Br)(=O)=O)C(=CC(=CC1C)C)C is A sulfonamide resulting from the formal condensation of the sulfonic acid group of mesitylene-2-sulphonic acid with the amino group of 2-(m-bromophenyl)ethylamine in which the nitrogen is substituted by a 4-[m-(methylsulfonyl)phenyl]benzyl group. It has the role of antineoplastic agent . It has the role of apoptosis inducer . It has the role of liver X receptor inverse agonist . It is also related to or classified as sulfonamide  . It is also related to or classified as sulfone  . It is also related to or classified as bromobenzenes .
The molecule [C@@H]1(C[C@@H](C/C(/C1=C)=C/C=C\2/[C@]3([C@](CCC2)([C@](CC3)([C@@H](/C=C/[C@@H](O)C4CC4)C)[H])C)[H])O)O.O [C@@H]1(C[C@@H](C/C(/C1=C)=C/C=C\2/[C@]3([C@](CCC2)([C@](CC3)([C@@H](/C=C/[C@@H](O)C4CC4)C)[H])C)[H])O)O.O is A hydrate that is the monohydrate form of calcipotriol. It is used in combination with betamethasone dipropionate, a corticosteroid, for the topical treatment of plaque psoriasis in adult patients. It has the role of antipsoriatic . It is also related to or classified as hydrate .
The molecule O1[C@H](CN(C[C@H]1C)C2=NC=C(C=C2)NC(C3=CC=CC(=C3C)C4=CC=C(C=C4)OC(F)(F)F)=O)C.P(=O)(O)(O)O.P(=O)(O)(O)O O1[C@H](CN(C[C@H]1C)C2=NC=C(C=C2)NC(C3=CC=CC(=C3C)C4=CC=C(C=C4)OC(F)(F)F)=O)C.P(=O)(O)(O)O.P(=O)(O)(O)O is A phosphate salt obtained by reaction sonidegib with two equivalent of phosphoric acid. Used for treatment of locally advanced basal cell carcinoma. It has the role of Hedgehog signaling pathway inhibitor . It has the role of antineoplastic agent . It has the role of SMO receptor antagonist . It is also related to or classified as phosphate salt .
The molecule C=1C=CC(=CC1)C[C@@H](C(N2[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(=O)O)CC=3N=CNC3)=O)CCSC)=O)CO)CCC2)=O)NC([C@H](CC4=CNC5=C4C=CC=C5)NC([C@@H](NC([C@H](CC6=CNC=N6)NC([C@H](CC7=CC=CC=C7)NC(=O)[C@H]8N(C([C@@H](NC([C@H](CC9=CC=C(C=C9)O)N)=O)CO)=O)CCC8)=O)=O)CCCCN)=O)=O C=1C=CC(=CC1)C[C@@H](C(N2[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(=O)O)CC=3N=CNC3)=O)CCSC)=O)CO)CCC2)=O)NC([C@H](CC4=CNC5=C4C=CC=C5)NC([C@@H](NC([C@H](CC6=CNC=N6)NC([C@H](CC7=CC=CC=C7)NC(=O)[C@H]8N(C([C@@H](NC([C@H](CC9=CC=C(C=C9)O)N)=O)CO)=O)CCC8)=O)=O)CCCCN)=O)=O is A twelve-membered polypeptide comprising the sequence Tyr-Ser-Pro-Phe-His-Lys-Trp-Phe-Pro-Ser-Met-His. It is also related to or classified as polypeptide  .
The molecule C1=C(C=C(C=C1)C(F)(F)F)N2CCN(CC2)CCN3C4=C(NC3=O)C=CC=C4 C1=C(C=C(C=C1)C(F)(F)F)N2CCN(CC2)CCN3C4=C(NC3=O)C=CC=C4 is an N-alkylpiperazine that is 1-[2-(1,3-dihydro-2-oxobenzimidazol-1-yl)ethyl]piperazine in which the remaining amino proton is replaced by a 3-(trifluoromethyl)phenyl group. A multifunctional serotonin agonist and antagonist which is used for the treatment of pre-menopausal women with hypoactive sexual desire disorder. It has the role of antidepressant . It has the role of serotonergic agonist . It has the role of serotonergic antagonist .  It is also related to or classified as organofluorine compound  . It is also related to or classified as benzimidazoles , N-alkylpiperazine , N-arylpiperazine .
The molecule O1[C@H](CN(C[C@H]1C)C2=NC=C(C=C2)NC(C3=CC=CC(=C3C)C4=CC=C(C=C4)OC(F)(F)F)=O)C O1[C@H](CN(C[C@H]1C)C2=NC=C(C=C2)NC(C3=CC=CC(=C3C)C4=CC=C(C=C4)OC(F)(F)F)=O)C is A member of the classo of biphenyls that is the amide obtained by formal condensation of the carboxy group of 2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxylic acid with the amino group of 6-(2,6-dimethylmorpholin-4-yl)pyridin-3-amine. Used (as its phosphate salt) for treatment of locally advanced basal cell carcinoma. It has the role of Hedgehog signaling pathway inhibitor . It has the role of antineoplastic agent . It has the role of SMO receptor antagonist .    It is also related to or classified as organofluorine compound  . It is also related to or classified as benzamides , biphenyls , aromatic ether , aminopyridine , morpholines , tertiary amino compound .
The molecule O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O[C@@H]([C@H](N)C(O)=O)C)NC(C)=O)O)O)CO O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O[C@@H]([C@H](N)C(O)=O)C)NC(C)=O)O)O)CO is an O-glycosyl-L-threonine having N-acetyl-beta-D-glucosaminyl as the glycosyl component. It is also related to or classified as O-glycosyl-L-threonine , monosaccharide derivative , non-proteinogenic L-alpha-amino acid .
The molecule C1=C(C(=C(C(=C1)C(N2CC(C2)(O)[C@H]3[NH2+]CCCC3)=O)NC4=CC=C(C=C4F)I)F)F C1=C(C(=C(C(=C1)C(N2CC(C2)(O)[C@H]3[NH2+]CCCC3)=O)NC4=CC=C(C=C4F)I)F)F is an organic cation obtained by protonation of the secondary amino group of cobimetinib. It is a conjugate acid of cobimetinib . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule C(C([O-])=O)C/C=C\C/C=C\C/C=C\C=C\C(C/C=C\C/C=C\CC)=O C(C([O-])=O)C/C=C\C/C=C\C/C=C\C=C\C(C/C=C\C/C=C\CC)=O is A polyunsaturated hydroxy-fatty acid anion that is the conjugate base of 14-oxo-DoHE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It has the role of human xenobiotic metabolite .  It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as oxodocosahexaenoate , oxo fatty acid anion , polyunsaturated fatty acid anion .
The molecule [Cl-].[H][N+](C)(CC#C)[C@H](C)Cc1ccccc1 [Cl-].[H][N+](C)(CC#C)[C@H](C)Cc1ccccc1 is selegiline hydrochloride. It has the role of EC 1.4.3.4 (monoamine oxidase) inhibitor . It has the role of antiparkinson drug . It has the role of dopaminergic agent .  It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as hydrochloride .
The molecule [C@@H]1([C@@H]([C@H]([C@H](C=C1CO)N[C@@H]2[C@@H]([C@H]([C@@H]([C@H]([C@H]2O)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O)O [C@@H]1([C@@H]([C@H]([C@H](C=C1CO)N[C@@H]2[C@@H]([C@H]([C@@H]([C@H]([C@H]2O)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O)O is A member of the class of validamycins that is validamycin A in which the pro-R hydrogen at the unsubstituted position of the cycloxexane ring has been replaced by a hydroxy group. It is also related to or classified as secondary amino compound , validamycins , antibiotic fungicide , polyol .
The molecule C1(=C(C(NC(N1)=O)=O)Cl)CN2C(CCC2)=[NH2+] C1(=C(C(NC(N1)=O)=O)Cl)CN2C(CCC2)=[NH2+] is A carboxamidinium ion obtained by protonation of the amidine function of tipiracil. It is a conjugate acid of tipiracil . It is also related to or classified as carboxamidinium ion .
The molecule N1(C(N(C(C2(N(C(N=C12)=O)C)O)=O)C)=O)C N1(C(N(C(C2(N(C(N=C12)=O)C)O)=O)C)=O)C is A member of the class of oxopurines that is 5-hydroxyisouric acid carrying three additional methyl substituents at positions 1, 3 and 7. It has the role of bacterial xenobiotic metabolite . Its functional parent is 5-hydroxyisouric acid . It is also related to or classified as oxopurine .
The molecule C1=CC2=C(C=C1)N(C3(C(C2=O)(C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)O3)C)O C1=CC2=C(C=C1)N(C3(C(C2=O)(C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)O3)C)O is an epoxide resulting from the oxidation of the double bond at the 2-3 position of aurachin C. Its functional parent is aurachin C .   It is also related to or classified as epoxide  . It is also related to or classified as hydroxylamines , organic heterotricyclic compound , aromatic ketone .
The molecule C1(=C(C(=CC=C1O)Cl)Cl)O C1(=C(C(=CC=C1O)Cl)Cl)O is A dichlorocatechol that is catechol in which the hydrogens at positions 3 and 4 are replaced by chlorines. It has the role of bacterial xenobiotic metabolite . It is also related to or classified as dichlorocatechol .
The molecule C1(=C(C(NC(N1)=O)=O)Cl)CN2C(CCC2)=N.Cl C1(=C(C(NC(N1)=O)=O)Cl)CN2C(CCC2)=N.Cl is A hydrochloride obtained by combining tipiracil with one equivalent of hydrochloric acid. Used in combination with trifluridine, a nucleoside metabolic inhibitor, for treatment of advanced/relapsed unresectable colorectal cancer. It has the role of antineoplastic agent . It has the role of EC 2.4.2.4 (thymidine phosphorylase) inhibitor . It is also related to or classified as iminium salt , hydrochloride .
The molecule C1(=CC=C2C(=C1)C(=C3C(=N2)C=4N(C3)C(C5=C(C4)[C@](C(OC5)=O)(CC)O)=O)CC)OC(=O)N6CCC(CC6)N7CCCCC7.Cl.O.O.O C1(=CC=C2C(=C1)C(=C3C(=N2)C=4N(C3)C(C5=C(C4)[C@](C(OC5)=O)(CC)O)=O)CC)OC(=O)N6CCC(CC6)N7CCCCC7.Cl.O.O.O is A hydrate that is the trihydrate form of irinotecan hydrochloride. Onivyde is used in combination with fluorouracil and leucovorin, for the treatment of patients with metastatic adenocarcinoma of the pancreas after disease progression following gemcitabine-based therapy. It is converted via hydrolysis of the carbamate linkage to its active metabolite, SN-38, which is ~1000 times more active. It has the role of antineoplastic agent . It has the role of prodrug . It has the role of EC 5.99.1.2 (DNA topoisomerase) inhibitor . It has the role of apoptosis inducer . It is also related to or classified as hydrate .
The molecule C1(=C(C(NC(N1)=O)=O)Cl)CN2C(CCC2)=N C1(=C(C(NC(N1)=O)=O)Cl)CN2C(CCC2)=N is A member of the class of pyrimidones that is uracil substituted by chloro and (2-iminopyrrolidin-1-yl)methyl groups at positions 5 and 6 respectively. Used (as the hydrochloride salt) in combination with trifluridine, a nucleoside metabolic inhibitor, for treatment of advanced/relapsed unresectable colorectal cancer. It has the role of antineoplastic agent . It has the role of EC 2.4.2.4 (thymidine phosphorylase) inhibitor . Its functional parent is uracil . It is also related to or classified as carboxamidine  . It is also related to or classified as organochlorine compound  . It is also related to or classified as pyrrolidines , pyrimidone .
The molecule C([C@@H]1[C@H](COC1=O)CC2=CC=C3OCOC3=C2)C4=CC=C(O)C(=C4)OC C([C@@H]1[C@H](COC1=O)CC2=CC=C3OCOC3=C2)C4=CC=C(O)C(=C4)OC is A butan-4-olide that is dihydrofuran-2(3H)-one which is substituted by a vanillyl group at position 3 and by a 3,4-methylenedioxybenzyl group at position 4 (the R,R stereoisomer). It has the role of plant metabolite .  It is also related to or classified as lignan  . It is also related to or classified as phenols  . It is also related to or classified as butan-4-olide , aromatic ether , benzodioxoles .
The molecule N1C(=CC(=C1C(=O)O)C2=CNC3=C2C=CC=C3)C4=CNC5=C4C=C(C=C5)O N1C(=CC(=C1C(=O)O)C2=CNC3=C2C=CC=C3)C4=CNC5=C4C=C(C=C5)O is A pyrrolecarboxylic acid that is pyrrole-2-carboxylic acid which is substituted at position 3 by a 1H-indol-3-yl group at at position 5 by a 5-hydroxy-1H-indol-3-yl group. It is a conjugate acid of protoviolaceinate . It is also related to or classified as pyrrolecarboxylic acid , hydroxyindoles , monocarboxylic acid .
The molecule C([C@@H]1[C@H](COC1=O)CC2=CC=C3OCOC3=C2)C4=CC(=C(C(=C4)O)OC)OC C([C@@H]1[C@H](COC1=O)CC2=CC=C3OCOC3=C2)C4=CC(=C(C(=C4)O)OC)OC is A butan-4-olide that is (-)-bursehernin bearing an additional hydroxy substituent at position 5 (adjacent to the two methoxy groups). It has the role of plant metabolite . Its functional parent is (-)-bursehernin .  It is also related to or classified as lignan  . It is also related to or classified as phenols  . It is also related to or classified as butan-4-olide , benzodioxoles , dimethoxybenzene .
The molecule C12=C(C(N3[C@H](C=4N1C(C5=C(N4)C=CC=C5)=O)C[C@]6([C@@]3(NC=7C=CC=CC67)[H])O)=O)C=CC=C2 C12=C(C(N3[C@H](C=4N1C(C5=C(N4)C=CC=C5)=O)C[C@]6([C@@]3(NC=7C=CC=CC67)[H])O)=O)C=CC=C2 is A member of the class of asperlicins that is asperlicin C in which the lactam nitrogen of the benzodiazepineone moiety has undergone addition to the 2-position of the 2-3 double bond of the indole moeity, and in which the hydrogen at the 3-position of the indole moiety has been replaced by a hydroxy group. It is a cholecystokinin antagonist. It has the role of cholecystokinin antagonist . It has the role of Aspergillus metabolite . It is also related to or classified as tertiary alcohol  . It is also related to or classified as aminal  . It is also related to or classified as organic heteroheptacyclic compound , asperlicins .
The molecule OC=1NC=2C(C1C=3C=C(NC3C(=O)[O-])C=4C=5C(NC4)=CC=C(O)C5)=CC=CC2 OC=1NC=2C(C1C=3C=C(NC3C(=O)[O-])C=4C=5C(NC4)=CC=C(O)C5)=CC=CC2 is A monocarboxylic acid anion that is the conjugate base of violaceinic acid, resulting from the removal of the proton from the carboxy group. Major structure at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as monocarboxylic acid anion  .
The molecule C1=CC2=C(C=C1)[N+](=C(C(C2=O)(C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)O)C)[O-] C1=CC2=C(C=C1)[N+](=C(C(C2=O)(C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)O)C)[O-] is A member of the class of quinoline N-oxides that is 3-hydroxy-2-methyl-1-oxo-1lambda(5)-quinolin-4-one carrying an additional (2E,6E)-farnesyl group at position 3. It has the role of bacterial metabolite . It is also related to or classified as tertiary alpha-hydroxy ketone  .    It is also related to or classified as tertiary alcohol  . It is also related to or classified as quinolone , quinoline N-oxide , olefinic compound .
The molecule C=1C=CC2=C(C1)C(N3C=4C=CC=CC4C(N[C@H](C3=N2)CC=5C=6C=CC=CC6NC5)=O)=O C=1C=CC2=C(C1)C(N3C=4C=CC=CC4C(N[C@H](C3=N2)CC=5C=6C=CC=CC6NC5)=O)=O is A member of the class of asperlicins in which the core 6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione skeleton is substituted at the 7 pro-S position by an indol-3-ylmethyl group. It is a cholecystokinin antagonist. It has the role of cholecystokinin antagonist . It has the role of Aspergillus metabolite . It is also related to or classified as indoles , organic heterotetracyclic compound , asperlicins .
The molecule OC=1NC=2C(C1C=3C=C(NC3C(=O)O)C=4C=5C(NC4)=CC=C(O)C5)=CC=CC2 OC=1NC=2C(C1C=3C=C(NC3C(=O)O)C=4C=5C(NC4)=CC=C(O)C5)=CC=CC2 is A pyrrolecarboxylic acid that is pyrrole-2-carboxylic acid which is substituted at position 3 by a 3-hydroxyindol-3-yl group at at position 5 by a 5-hydroxyindol-3-yl group. It has the role of bacterial metabolite . It is a conjugate acid of violaceinate . It is also related to or classified as pyrrolecarboxylic acid , hydroxyindoles , monocarboxylic acid .
The molecule C1=CC2=C(C=C1)N(C(=C(C2=O)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)C)O C1=CC2=C(C=C1)N(C(=C(C2=O)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)C)O is A C-type aurachin that is quinolin-4-one which is substituted by a hydroxy group at positions 1, a methyl group at position 2, and a triprenyl group at position 3. It has the role of antibacterial agent . It has the role of bacterial metabolite . It has the role of EC 1.8.5.4 (sulfide:quinone reductase) inhibitor . It is also related to or classified as quinolone , hydroxylamines , organic heterobicyclic compound , C-type aurachin .
The molecule N1C(=CC(=C1C(=O)[O-])C2=CNC3=C2C=CC=C3)C4=CNC5=C4C=CC=C5 N1C(=CC(=C1C(=O)[O-])C2=CNC3=C2C=CC=C3)C4=CNC5=C4C=CC=C5 is A monocarboxylic acid anion that is the conjugate base of protodeoxyviolaceinic acid, resulting from the removal of the proton from the carboxy group. Major structure at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as monocarboxylic acid anion  .
The molecule C(CCN1CCCCC1)(NC2=CC/3=C(NC(\C3=C/C4=CNC5=C4C=C(C=C5)OC)=O)C=C2)=O C(CCN1CCCCC1)(NC2=CC/3=C(NC(\C3=C/C4=CNC5=C4C=C(C=C5)OC)=O)C=C2)=O is an oxindole that is 5-amino-oxindole in which the 5-amino group has undergone formal condensation with the carboxy group of 3-(piperidin-1-yl)propanoic acid to give the corresponding carboxamide and in which the hydrogens at position 3 have been replaced by a (5-methoxy-1H-indol-3-yl)methylene group (Z configuration). It is an inhibitor of extracellular signal-regulated kinase (ERK) dimerisation. It has the role of antineoplastic agent . It has the role of ERK dimerisation inhibitor . It is also related to or classified as secondary carboxamide  .   It is also related to or classified as enamide  . It is also related to or classified as piperidines , oxindoles .
The molecule C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)[C@H](OC[C@@]2(NC[C@]3(CC2)CCC(N3)=O)C4=CC=CC=C4)C.O.Cl C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)[C@H](OC[C@@]2(NC[C@]3(CC2)CCC(N3)=O)C4=CC=CC=C4)C.O.Cl is A hydrate that is the monohydrate form of rolapitant hydrochloride. Used for the prevention of delayed nausea and vomiting associated with initial and repeat courses of emetogenic cancer chemotherapy. It has the role of antiemetic . It has the role of neurokinin-1 receptor antagonist . It is also related to or classified as hydrate .
The molecule OC=1NC=2C(C1C=3C=C(NC3C(=O)[O-])C=4C=5C(NC4)=CC=CC5)=CC=CC2 OC=1NC=2C(C1C=3C=C(NC3C(=O)[O-])C=4C=5C(NC4)=CC=CC5)=CC=CC2 is A monocarboxylic acid anion that is the conjugate base of deoxyviolaceinic acid, resulting from the removal of the proton from the carboxy group. Major structure at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as monocarboxylic acid anion  .
The molecule C1(=CC=C(C=C1NC(/C=C/C=C/C=C/C2CCCCC2)=O)/C=C/C=C/C=C/C(NC=3C(CCC3O)=O)=O)O C1(=CC=C(C=C1NC(/C=C/C=C/C=C/C2CCCCC2)=O)/C=C/C=C/C=C/C(NC=3C(CCC3O)=O)=O)O is A polyketide that is (all-E)-7-(3-amino-4-hydroxyphenyl)hepta-2,4,6-trienoic acid in which the amino group has been acylated by an (all-E)-7-cyclohexylhepta-2,4,6-trienoyl group and in which the carboxy group has undergone formal condensation with the amino group of 2-amino-3-hydroxycyclopent-2-en-1-one to give the corresponding carboxamide. Protoasukamycin is an intermediate in the biosynthesis of asukamycin. It has the role of bacterial metabolite . It is also related to or classified as secondary carboxamide  . It is also related to or classified as polyketide  . It is also related to or classified as enol  . It is also related to or classified as phenols  .  It is also related to or classified as enone  . It is also related to or classified as enamide  . It is also related to or classified as cyclic ketone .
The molecule N1C(=CC(=C1C(=O)[O-])C2=CNC3=C2C=CC=C3)C4=CNC5=C4C=C(C=C5)O N1C(=CC(=C1C(=O)[O-])C2=CNC3=C2C=CC=C3)C4=CNC5=C4C=C(C=C5)O is A monocarboxylic acid anion that is the conjugate base of protoviolaceinic acid, resulting from the removal of the proton from the carboxy group. Major structure at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@H](C(=O)N[C@H](C(O)=O)C(O)C)CCCNC(=N)N)=O)=O)CC=2C=CC(=CC2)O)=O)CC(C)C)=O)CCCCN)=O)C(O)C)=O)CC=3C=CC=CC3)=O)CC4=CNC5=C4C=CC=C5)([C@@H](NC(=O)[C@H]6N(CCC6)C([C@H](CC7=CC=CC=C7)N)=O)C)=O C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@H](C(=O)N[C@H](C(O)=O)C(O)C)CCCNC(=N)N)=O)=O)CC=2C=CC(=CC2)O)=O)CC(C)C)=O)CCCCN)=O)C(O)C)=O)CC=3C=CC=CC3)=O)CC4=CNC5=C4C=CC=C5)([C@@H](NC(=O)[C@H]6N(CCC6)C([C@H](CC7=CC=CC=C7)N)=O)C)=O is A twelve-membered polypeptide comprising the sequence Phe-Pro-Ala-Trp-Phe-Thr-Lys-Leu-Tyr-Pro-Arg-Thr. It is also related to or classified as polypeptide  .
The molecule C([C@@H]1[C@H](COC1=O)CC2=CC=C3OCOC3=C2)C4=CC=C(OC)C(=C4)OC C([C@@H]1[C@H](COC1=O)CC2=CC=C3OCOC3=C2)C4=CC=C(OC)C(=C4)OC is A butan-4-olide that is (-)-pluviatolide in which the phenolic hydroxy group has been converted to the corresponding methyl ether. It has the role of plant metabolite . Its functional parent is (-)-pluviatolide .  It is also related to or classified as lignan  . It is also related to or classified as butan-4-olide , aromatic ether , benzodioxoles .
The molecule OC=1NC=2C(C1C=3C=C(NC3C(=O)O)C=4C=5C(NC4)=CC=CC5)=CC=CC2 OC=1NC=2C(C1C=3C=C(NC3C(=O)O)C=4C=5C(NC4)=CC=CC5)=CC=CC2 is A pyrrolecarboxylic acid that is pyrrole-2-carboxylic acid which is substituted at position 3 by a 3-hydroxyindol-3-yl group at at position 5 by an indol-3-yl group. It has the role of bacterial metabolite . It is a conjugate acid of deoxyviolaceinate . It is also related to or classified as pyrrolecarboxylic acid , hydroxyindoles , monocarboxylic acid .
The molecule C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)[C@H](OC[C@@]2(NC[C@]3(CC2)CCC(N3)=O)C4=CC=CC=C4)C C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)[C@H](OC[C@@]2(NC[C@]3(CC2)CCC(N3)=O)C4=CC=CC=C4)C is an azaspiro compound that is 1,7-diazaspiro[4.5]decan-2-one carrying additional phenyl and 1-{[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl substituents at position 8. Used (in the form of the hydrochloride hydrate) for the prevention of delayed nausea and vomiting associated with initial and repeat courses of emetogenic cancer chemotherapy. It has the role of antiemetic . It has the role of neurokinin-1 receptor antagonist . It is also related to or classified as ether  .   It is also related to or classified as organofluorine compound  . It is also related to or classified as pyrrolidin-2-ones  . It is also related to or classified as piperidines , azaspiro compound .
The molecule [C@@H]1(N2C(NC(=O)C=C2)=O)O[C@H](COC(=O)C)[C@H]([C@H]1OC(=O)C)OC(=O)C [C@@H]1(N2C(NC(=O)C=C2)=O)O[C@H](COC(=O)C)[C@H]([C@H]1OC(=O)C)OC(=O)C is an acetate ester that is uracil in which the three hydroxy hydrogens are replaced by acetate group. A prodrug for uridine, it is used for the treatment of hereditary orotic aciduria  and for management of fluorouracil toxicity. It has the role of prodrug . It has the role of neuroprotective agent . It has the role of orphan drug .  It is also related to or classified as acetate ester  . It is also related to or classified as uridines .