anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C(=O)(C(=O)O)C(=O)O is an oxo dicarboxylic acid. It derives from a malonic acid. It is a conjugate acid of an oxomalonate(1-).
The molecule Cc1sc(nc1C=O)-c1ccccc1O Cc1sc(nc1C=O)-c1ccccc1O is Pulicatin D. It has the role of metabolite . It is also related to or classified as 1,3-thiazoles .
The molecule OC(=O)c1ccccc1C(=O)Nc1cccc2ccccc12 OC(=O)c1ccccc1C(=O)Nc1cccc2ccccc12 is A dicarboxylic acid monoamide which results from addition of one equivalent of 1-naphthylamine to phthalic anhydride. It has the role of herbicide . It is a conjugate acid of naptalamate . It is also related to or classified as carboxylic acid  .  It is also related to or classified as N-(1-naphthyl)carboxamide  . It is also related to or classified as dicarboxylic acid monoamide .
The molecule O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](O)[C@@H]1O O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](O)[C@@H]1O is A organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 1D-myo-inositol 6-phosphate. It is also related to or classified as myo-inositol phosphate(2-) , inositol phosphate oxoanion .
The molecule S(OC=1C=C2OC(C3=CC(OC)=C(O)C=C3)=CC(=O)C2=C(O)C1)(O)(=O)=O S(OC=1C=C2OC(C3=CC(OC)=C(O)C=C3)=CC(=O)C2=C(O)C1)(O)(=O)=O is Luteolin 3'-methyl ether 7-sulfate. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule [H][C@]12OC3(O[C@]1([C@@H](OC(C)=O)[C@@H](C)[C@]1(O3)[C@]3([H])C[C@H](C)[C@H](OC(C)=O)[C@@]3(OC(=O)c3ccccc3)[C@H](OC(C)=O)[C@](C)(O)[C@@H](OC(C)=O)[C@@]21[H])C(C)=C)c1ccccc1 [H][C@]12OC3(O[C@]1([C@@H](OC(C)=O)[C@@H](C)[C@]1(O3)[C@]3([H])C[C@H](C)[C@H](OC(C)=O)[C@@]3(OC(=O)c3ccccc3)[C@H](OC(C)=O)[C@](C)(O)[C@@H](OC(C)=O)[C@@]21[H])C(C)=C)c1ccccc1 is Trigohownin D. It has the role of metabolite . It is also related to or classified as diterpenoid  .
The molecule C[C@@H](CCC/C=C/[C@@H]1C[C@@H](C[C@H]1[C@@H](/C=C/C(=O)O)O)O)O is a semisynthetic derivative obtained by alkaline hydrolysis of the macrocyclic lactone ring of brefeldin A. It is a secondary allylic alcohol, a triol, an alpha,beta-unsaturated monocarboxylic acid, a 4-hydroxy monocarboxylic acid, an alicyclic compound and a semisynthetic derivative. It derives from a brefeldin A.
The molecule Cc1sc(nc1CO)-c1ccccc1O Cc1sc(nc1CO)-c1ccccc1O is Pulicatin C. It has the role of metabolite . It is also related to or classified as 1,3-thiazoles .
The molecule [H][C@@]1(N\C(N[C@]1([H])C(O)=O)=N/[C@@H]1O[C@H](CO)[C@H](OC(N)=O)[C@@H](O)[C@H]1NC(=O)C[C@@H](N)CCCNC(=O)C[C@@H](N)CCCNC(=O)C[C@@H](N)CCCN)[C@H](O)CN [H][C@@]1(N\C(N[C@]1([H])C(O)=O)=N/[C@@H]1O[C@H](CO)[C@H](OC(N)=O)[C@@H](O)[C@H]1NC(=O)C[C@@H](N)CCCNC(=O)C[C@@H](N)CCCNC(=O)C[C@@H](N)CCCN)[C@H](O)CN is the streptothricin acid obtained by hydrolysis of the lactam group of streptothricin D. It is also related to or classified as streptothricin acid .
The molecule [Na+].N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C([O-])=O [Na+].N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C([O-])=O is the sodium salt of liothyronine. Thought to be more active than levothyroxine and with a rapid (few hours) onset and short duration of action,  liothyronine sodium is used in the treatment of hypothyroidism, particularly in cases of hypothyroid coma. It is also related to or classified as organic sodium salt .
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C is an organophosphate oxoanion that is the trianion of ditrans,polycis-dodecaprenyl diphosphate arising from deprotonation of the diphosphate OH groups; major species at pH 7.3. It derives from a ditrans,polycis-dodecaprenyl phosphate(2-). It is a conjugate base of a ditrans,polycis-dodecaprenyl diphosphate.
The molecule [H][C@@]12C[C@H](C)[C@H](OC(C)=O)[C@@]1(O)[C@H](OC(C)=O)[C@](C)(OC(=O)c1ccccc1)[C@@H](O)[C@@]1([H])[C@@]3([H])OC4(O[C@@H]([C@@H](C)[C@]21O4)[C@@]3(O)C(C)=C)c1ccccc1 [H][C@@]12C[C@H](C)[C@H](OC(C)=O)[C@@]1(O)[C@H](OC(C)=O)[C@](C)(OC(=O)c1ccccc1)[C@@H](O)[C@@]1([H])[C@@]3([H])OC4(O[C@@H]([C@@H](C)[C@]21O4)[C@@]3(O)C(C)=C)c1ccccc1 is Trigohownin C, (rel)-. It has the role of metabolite . It is also related to or classified as diterpenoid  .
The molecule CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O is a 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol in which both stereocentres have R-configuration; the (R,R)-enantiomer of the racemic opioid analgesic tramadol, it exhibits ten-fold higher analgesic potency than the (S,S)-enantiomer. It has a role as a delta-opioid receptor agonist, a kappa-opioid receptor agonist, a mu-opioid receptor agonist, an adrenergic uptake inhibitor, an antitussive, a capsaicin receptor antagonist, a muscarinic antagonist, a nicotinic antagonist, a NMDA receptor antagonist, an opioid analgesic, a serotonergic antagonist, a serotonin uptake inhibitor and a metabolite. It is a conjugate base of a (R,R)-tramadol(1+). It is an enantiomer of a (S,S)-tramadol.
The molecule C[C@@H]1SC(=N[C@H]1CO)c1ccccc1O C[C@@H]1SC(=N[C@H]1CO)c1ccccc1O is Pulicatin B. It has the role of metabolite . It is also related to or classified as phenols  .
The molecule [H][C@]12N\C(N[C@]1([H])C(=O)NC[C@H]2O)=N/[C@@H]1O[C@H](CO)[C@H](OC(N)=O)[C@@H](O)[C@H]1NC(=O)C[C@@H](N)CCCNC(=O)C[C@@H](N)CCCNC(=O)C[C@@H](N)CCCN [H][C@]12N\C(N[C@]1([H])C(=O)NC[C@H]2O)=N/[C@@H]1O[C@H](CO)[C@H](OC(N)=O)[C@@H](O)[C@H]1NC(=O)C[C@@H](N)CCCNC(=O)C[C@@H](N)CCCNC(=O)C[C@@H](N)CCCN is A streptothricin in which the peptide side-chain consists of 3 units of beta-lysine. It has the role of antimicrobial agent . It is also related to or classified as streptothricin .
The molecule [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])([O-])=O)OC(=O)CCCCCCC\C=C/CCCCCCCC [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])([O-])=O)OC(=O)CCCCCCC\C=C/CCCCCCCC is an anionic phospholipid obtained by deprotonation of the phosphate OH groups of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphate; major species at pH 7.3. It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate(2-)  .
The molecule C[C@H](CCC[C@@H](C)C(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H]([C@@H]4O)O)C)C is a steroid acid anion that is the conjugate base of (25R)-3beta,4beta-dihydroxycholest-5-en-26-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has a role as a human xenobiotic metabolite. It is a conjugate base of a (25R)-3beta,4beta-dihydroxycholest-5-en-26-oic acid.
The molecule [H][C@@]12OC3(O[C@@H]([C@@H](C)[C@]4(O3)[C@]3([H])C[C@H](C)[C@H](OC(C)=O)[C@@]3(OC(=O)c3ccccc3)[C@H](OC(C)=O)[C@](C)(O)[C@@H](OC(C)=O)[C@@]14[H])[C@@]2(O)C(C)=C)c1ccccc1 [H][C@@]12OC3(O[C@@H]([C@@H](C)[C@]4(O3)[C@]3([H])C[C@H](C)[C@H](OC(C)=O)[C@@]3(OC(=O)c3ccccc3)[C@H](OC(C)=O)[C@](C)(O)[C@@H](OC(C)=O)[C@@]14[H])[C@@]2(O)C(C)=C)c1ccccc1 is Trigohownin B, (rel)-. It has the role of metabolite . It is also related to or classified as diterpenoid  .
The molecule CCCCC[C@@](C)(/C=C/[C@H]1[C@H](C[C@@H]([C@@H]1C/C=C\\CCCC(=O)[O-])O)O)O.C(C(CO)(CO)[NH3+])O is the tromethamine salt of carboprost. It is used as an abortifacient agent that is effective in both the first and second trimesters of pregnancy. It has a role as an oxytocic and an abortifacient. It contains a carboprost(1-) and a member of Htris.
The molecule C[C@@H]1SC(=N[C@@H]1CO)c1ccccc1O C[C@@H]1SC(=N[C@@H]1CO)c1ccccc1O is Pulicatin A. It has the role of metabolite . It is also related to or classified as phenols  .
The molecule N[C@@H](CCCn1c(CO)ccc1C=O)C(O)=O N[C@@H](CCCn1c(CO)ccc1C=O)C(O)=O is an N-substituted pyrraline formed via Maillard reaction of L-ornithine with glucose. It is also related to or classified as N-substituted pyrraline  . It is also related to or classified as non-proteinogenic L-alpha-amino acid .
The molecule CN(C)CCNc1ccc(O)c2C(=O)c3c(NCCN(C)C)ccc(O)c3C(=O)c12 CN(C)CCNc1ccc(O)c2C(=O)c3c(NCCN(C)C)ccc(O)c3C(=O)c12 is DRAQ5 dye. It has the role of fluorochrome . It is also related to or classified as dihydroxyanthraquinone  .
The molecule O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H]1O O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H]1O is A myo-inositol monophosphate in which the phosphate group is located at position 6. It has the role of metabolite . Its functional parent is myo-inositol . It is a conjugate acid of 1D-myo-inositol 6-phosphate(2-) . It is also related to or classified as myo-inositol monophosphate .
The molecule [H][C@@]12OC3(O[C@@H]([C@@H](C)[C@]4(O3)[C@]3([H])C[C@H](C)[C@H](OC(C)=O)[C@@]3(OC(C)=O)[C@H](O)[C@](C)(OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@]14[H])[C@@]2(O)C(C)=C)c1ccccc1 [H][C@@]12OC3(O[C@@H]([C@@H](C)[C@]4(O3)[C@]3([H])C[C@H](C)[C@H](OC(C)=O)[C@@]3(OC(C)=O)[C@H](O)[C@](C)(OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@]14[H])[C@@]2(O)C(C)=C)c1ccccc1 is Trigohownin A, (rel)-. It has the role of metabolite . It is also related to or classified as diterpenoid  .
The molecule CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)CNC(=O)CNC(=O)[C@H](CC5=CC=C(C=C5)O)N is a polypeptide consisting of 31 amino acid residues in the sequence Tyr-Gly-Gly-Phe-Met-Thr-Ser-Glu-Lys-Ser-Gln-Thr-Pro-Leu-Val-Thr-Leu-Phe-Lys-Asn-Ala-Ile-Ile-Lys-Asn-Ala-Tyr-Lys-Lys-Gly-Glu. It is an endogenous opioid peptide neurotransmitter found in the neurons of both the central and peripheral nervous system and results from processing of the precursor protein proopiomelanocortin (POMC). It has a role as a neurotransmitter.
The molecule NC(=O)C1CSC(=N1)c1ccccc1O NC(=O)C1CSC(=N1)c1ccccc1O is pulicatin G. It has the role of metabolite . It is also related to or classified as 1,3-thiazoles , aromatic amide .
The molecule [H][C@@]1(N\C(N[C@]1([H])C(O)=O)=N/[C@@H]1O[C@H](CO)[C@H](OC(N)=O)[C@@H](O)[C@H]1NC(=O)C[C@@H](N)CCCN)[C@H](O)CN [H][C@@]1(N\C(N[C@]1([H])C(O)=O)=N/[C@@H]1O[C@H](CO)[C@H](OC(N)=O)[C@@H](O)[C@H]1NC(=O)C[C@@H](N)CCCN)[C@H](O)CN is the streptothricin acid obtained by hydrolysis of the lactam group of streptothricin F. It is also related to or classified as streptothricin acid .
The molecule [H]C(=C([H])c1oc2ccccc2[n+]1CCCCCCCCCCCCCCCCCC)C([H])=C1Oc2ccccc2N1CCCCCCCCCCCCCCCCCC [H]C(=C([H])c1oc2ccccc2[n+]1CCCCCCCCCCCCCCCCCC)C([H])=C1Oc2ccccc2N1CCCCCCCCCCCCCCCCCC is the cationic form of a C3 cyanine dye having 3-octadecyl-1,3-benzoxazol-2(3H)-yl units at each end. It has the role of fluorochrome . It is also related to or classified as Cy3 dye  . It is also related to or classified as 1,3-benzoxazoles , benzoxazolium ion .
The molecule C(C(=O)CN)CC(=O)O.Cl C(C(=O)CN)CC(=O)O.Cl is A hydrochloride that is the monohydrochloride of 5-aminolevulinic acid. It is metabolised to protoporphyrin IX, a photoactive compound which accumulates in the skin. Used in combination with blue light illumination for the treatment of minimally to moderately thick actinic keratosis of the face or scalp. It has the role of antineoplastic agent . It has the role of photosensitizing agent . It has the role of dermatologic drug . It has the role of prodrug . It is also related to or classified as hydrochloride .
The molecule C\C(CCC1=C(C)CCCC1(C)C)=C/CC\C(CO)=C\C[C@H]1OC(=O)C=C1CO C\C(CCC1=C(C)CCCC1(C)C)=C/CC\C(CO)=C\C[C@H]1OC(=O)C=C1CO is (6Z)-neomanoalide. It has the role of metabolite . It is also related to or classified as diterpene lactone .
The molecule C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C is a cholanic acid conjugate anion that is the conjugate base of 7-oxoglycodeoxycholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a cholanic acid conjugate anion and a N-acylglycinate. It is a conjugate base of a 7-oxoglycodeoxycholic acid.
The molecule NC(=O)c1csc(n1)-c1ccccc1O NC(=O)c1csc(n1)-c1ccccc1O is pulicatin F. It has the role of metabolite . It is also related to or classified as 1,3-thiazoles , aromatic amide .
The molecule [H][C@]12N\C(N[C@]1([H])C(=O)NC[C@H]2O)=N/[C@@H]1O[C@H](CO)[C@H](OC(N)=O)[C@@H](O)[C@H]1NC(=O)C[C@@H](N)CCCN [H][C@]12N\C(N[C@]1([H])C(=O)NC[C@H]2O)=N/[C@@H]1O[C@H](CO)[C@H](OC(N)=O)[C@@H](O)[C@H]1NC(=O)C[C@@H](N)CCCN is A streptothricin in which the peptide side-chain consists of a single unit of beta-lysine. It has the role of antimicrobial agent . It is also related to or classified as streptothricin .
The molecule OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[C@]3(CO)O[C@H](CO[C@]4(CO)O[C@H](CO)[C@@H](O)[C@@H]4O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[C@]3(CO)O[C@H](CO[C@]4(CO)O[C@H](CO)[C@@H](O)[C@@H]4O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O is A linear tetrasaccharide that consists of sucrose having a beta-D-fructosyl-(2->6)-beta-D-fructosyl moiety attached at position 6 of the fructosyl residue. Its functional parent is sucrose . It is also related to or classified as tetrasaccharide  .
The molecule C\C(CCC1=C(C)CCCC1(C)C)=C/CC\C(CO)=C/C[C@H]1OC(=O)C=C1CO C\C(CCC1=C(C)CCCC1(C)C)=C/CC\C(CO)=C/C[C@H]1OC(=O)C=C1CO is (6E)-neomanoalide. It has the role of metabolite . It is also related to or classified as diterpene lactone .
The molecule C1=CC=C2C(=C1)C(=C(N2)O)C3=C(NC(=C3)C4=CNC5=C4C=C(C=C5)O)C(=O)O 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 a role as a bacterial metabolite. It is a member of hydroxyindoles, a monocarboxylic acid and a pyrrolecarboxylic acid. It is a conjugate acid of a violaceinate.
The molecule OC[C@@H]1CSC(=N1)c1ccccc1O OC[C@@H]1CSC(=N1)c1ccccc1O is aerugine. It has the role of metabolite . It is also related to or classified as phenols  .
The molecule O=C(Oc1ccccc1)c1ccccc1C(=O)Oc1ccccc1 O=C(Oc1ccccc1)c1ccccc1C(=O)Oc1ccccc1 is the diphenyl ester of benzene-1,2-dicarboxylic acid.  It is also related to or classified as diester  . It is also related to or classified as phthalate ester .
The molecule OC[C@H]1O[C@H](O[C@]2(CO[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@H](O[C@]2(CO[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O is A branched tetrasaccharide that consists of sucrose having two additional beta-fructosyl residues attached to the fructose at positions 1 and 6. Its functional parent is sucrose . It is also related to or classified as tetrasaccharide  .
The molecule CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO)O)OC2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)C is a linear amino trisaccharide consisting of a beta-D-galactosyl residue linked (1->3) to an N-acetyl-D-glucosaminyl residue, which is in turn linked (1->3) to N-acetyl-D-glucosamine at the reducing end. It is an amino trisaccharide and a galactosamine oligosaccharide.
The molecule CC(=C)[C@H](O)CC\C(C)=C\CC\C(C)=C\CC\C(CO)=C\C[C@H]1OC(=O)C=C1CO CC(=C)[C@H](O)CC\C(C)=C\CC\C(C)=C\CC\C(CO)=C\C[C@H]1OC(=O)C=C1CO is Hippolide H. It has the role of metabolite . It is also related to or classified as diterpene lactone .
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)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO)O)O)O)O)O)O)N is an ADP-L-glycero-D-manno-heptose having beta-configuration at the anomeric centre of the heptose. It is a conjugate acid of an ADP-L-glycero-beta-D-manno-heptose(2-).
The molecule [H][C@@]1(CC[C@]2([H])[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@@]33OO[C@@]21C=C3)[C@H](C)\C=C\[C@@H](C)C(C)C [H][C@@]1(CC[C@]2([H])[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@@]33OO[C@@]21C=C3)[C@H](C)\C=C\[C@@H](C)C(C)C is (22E,24S)-5alpha,8alpha-epidioxy-24-methylcholesta-6,9,22-trien-3beta -ol. It has the role of metabolite . It is also related to or classified as ergostanoid .
The molecule CC(=O)OC[C@H]1O[C@@H](OC[C@H]2OC(OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O CC(=O)OC[C@H]1O[C@@H](OC[C@H]2OC(OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O is an acetate ester formed by total acetylation of gentiobiose. It is also related to or classified as disaccharide  . It is also related to or classified as acetate ester  .
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1c(C)c(O)c2ccccc2c1O CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1c(C)c(O)c2ccccc2c1O is A menaquinol whose structure comprises a 2-methylbenzohydroquinone nucleus and a side chain of seven isoprenoid units. It has the role of electron donor . It is also related to or classified as menaquinol  .
The molecule CC1=C(C=C(C=C1)O)CC[C@H]2[C@@H]3CC[C@@H]([C@]3(CCC2=O)C)[C@H](C)C(=O)[O-] is a steroid acid anion that is the conjugate base of 3-hydroxy-9-oxo-9,10-seco-23,24-bisnorchola-1,3,5(10)-trien-22-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a steroid acid anion and a 7-oxo monocarboxylic acid anion. It is a conjugate base of a 3-hydroxy-9-oxo-9,10-seco-23,24-bisnorchola-1,3,5(10)-trien-22-oic acid.
The molecule [C@@]1(C(NS(C2CC2)(=O)=O)=O)(C[C@H]1C=C)NC(=O)[C@H]3N4C[C@@H](C3)OC5=C(CCCCC[C@H]6[C@@H](C6)OC(N[C@H](C4=O)C(C)(C)C)=O)N=C7C(=N5)C=C(C=C7)OC [C@@]1(C(NS(C2CC2)(=O)=O)=O)(C[C@H]1C=C)NC(=O)[C@H]3N4C[C@@H](C3)OC5=C(CCCCC[C@H]6[C@@H](C6)OC(N[C@H](C4=O)C(C)(C)C)=O)N=C7C(=N5)C=C(C=C7)OC is an azamacrocyclic compound that is a hepatitis C protease inhibitor used in combination with elbasvir (under the brand name Zepatier) for treatment of chronic HCV genotypes 1 or 4 infection in adults. It has the role of antiviral drug . It has the role of hepatoprotective agent . It has the role of hepatitis C protease inhibitor .  It is also related to or classified as lactam  .     It is also related to or classified as N-sulfonylcarboxamide  . It is also related to or classified as carbamate ester , aromatic ether , quinoxaline derivative , cyclopropanes , azamacrocycle .
The molecule CC(CO)CCC\C(C)=C\CC\C(C)=C\CC\C(CO)=C\C[C@H]1OC(=O)C=C1CO CC(CO)CCC\C(C)=C\CC\C(C)=C\CC\C(CO)=C\C[C@H]1OC(=O)C=C1CO is Hippolide G. It has the role of metabolite . It is also related to or classified as diterpene lactone .
The molecule CC(C)CCOC(=O)C is the acetate ester of isoamylol. It has a role as a metabolite and a Saccharomyces cerevisiae metabolite. It derives from an isoamylol.
The molecule CC(C)c1cc2CC[C@H]3C(C)(C)C[C@@H](O)C[C@]3(C)c2cc1O CC(C)c1cc2CC[C@H]3C(C)(C)C[C@@H](O)C[C@]3(C)c2cc1O is A  meroterpenoid that is ferruginol substituted by a beta-hydroxy group at position 6. It has been isolated from the stem bark of Fraxinus sieboldiana. It has the role of plant metabolite . Its functional parent is ferruginol . It is also related to or classified as phenols  . It is also related to or classified as carbotricyclic compound , meroterpenoid .
The molecule C1CCC(CC1)(N1CCCC1)c1ccccc1 C1CCC(CC1)(N1CCCC1)c1ccccc1 is pyrrolidine in which the hydrogen attached to the nitrogen is substituted by a 1-phenylcyclohex-1-yl group. It has the role of hallucinogen . It has the role of general anaesthetic . It has the role of NMDA receptor antagonist . It is also related to or classified as tertiary amine  . It is also related to or classified as pyrrolidines .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COS(=O)(=O)O)O)O)O)O is an amino disaccharide that consists of N-acetyl-beta-D-glucosamine having a 6-O-sulfo-beta-D-galactosyl residue attached at position 4. It has a role as an epitope. It is an amino disaccharide and an oligosaccharide sulfate.
The molecule OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O is A trisaccharide that consists of sucrose having an additional fructosyl residue attached to the fructose residue via a beta-(2->6)-linkage. Its functional parent is sucrose . It is also related to or classified as trisaccharide .
The molecule CC(=O)N[C@H](C=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O is an aldehydo-N-acyl-D-mannosamine 6-phosphate that has acetyl as the acyl group. It derives from an aldehydo-D-mannosamine. It is a conjugate acid of a N-acetyl-D-mannosamine 6-phosphate(2-).
The molecule C\C(CO)=C/CC\C(C)=C\CC\C(C)=C\CC\C(CO)=C\C[C@H]1OC(=O)C=C1CO C\C(CO)=C/CC\C(C)=C\CC\C(C)=C\CC\C(CO)=C\C[C@H]1OC(=O)C=C1CO is Hippolide F. It has the role of metabolite . It is also related to or classified as diterpene lactone .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)CO)OP(=O)(O)OP(=O)(O)OC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(\\C)/CCC=C(C)C)NC(=O)C)O)O)O[C@H]3[C@@H]([C@H]([C@@H](O3)[C@@H](CO)O[C@H]4[C@@H]([C@H]([C@@H](O4)[C@@H](CO[C@H]5[C@@H]([C@H]([C@@H](O5)[C@@H](CO)O[C@H]6[C@@H]([C@H]([C@@H](O6)[C@@H](CO[C@H]7[C@@H]([C@H]([C@@H](O7)[C@@H](CO)O[C@H]8[C@@H]([C@H]([C@@H](O8)[C@@H](CO[C@H]9[C@@H]([C@H]([C@@H](O9)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O is a polyprenyl glycosyl phosphate consisting of the 32-membered glycosyl moiety, [beta-D-Galf-(1->5)-beta-D-Galf-(1->6)]14-beta-D-Galf-(1->5)-beta-D-Galf-(1->4)-alpha-L-Rhap-(1->3)-alpha-D-GlcpNAc attached at the 1-position to trans,octacis-decaprenyl phosphate. It is a polyprenyl glycosyl phosphate and an oligosaccharide derivative. It is a conjugate acid of a [beta-D-Galf-(1->5)-beta-D-Galf-(1->6)]14-beta-D-Galf-(1->5)-beta-D-Galf-(1->4)-alpha-L-Rhap-(1->3)-alpha-D-GlcpNAc-1-diphospho-trans,octacis-decaprenol(2-).
The molecule CC(C)C1=C[C@@]23CC[C@@H]4[C@@](CCCC4(C)C)(C(=O)O2)C3=CC1=O CC(C)C1=C[C@@]23CC[C@@H]4[C@@](CCCC4(C)C)(C(=O)O2)C3=CC1=O is an  abietane diterpenoid isolated from the stem bark of  Fraxinus sieboldiana. It has the role of plant metabolite . It is also related to or classified as cyclic terpene ketone , abietane diterpenoid , diterpene lactone .
The molecule CCCN1CCCCC1C(=O)Nc1c(C)cccc1C CCCN1CCCCC1C(=O)Nc1c(C)cccc1C is the piperidinecarboxamide obtained by the formal condensation of N-propylpipecolic acid and 2,6-dimethylaniline. It is also related to or classified as piperidinecarboxamide .
The molecule Cc1cc(C)c(C([O-])=O)c(C)c1 Cc1cc(C)c(C([O-])=O)c(C)c1 is A trimethylbenzoate in which the three methyl substituents are located at positions 2, 4 and 6. Its functional parent is benzoate . It is also related to or classified as trimethylbenzoate .