anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C=O)[C@@]1([H])[C@@]2(C)CC[C@H](O)[C@@]1(C)C(O)=O [H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C=O)[C@@]1([H])[C@@]2(C)CC[C@H](O)[C@@]1(C)C(O)=O is A C20-gibberellin obtained by selective reduction of the 10beta-carboxy group of gibberellin A14. Its functional parent is gibberellin A14 . It is a conjugate acid of gibberellin A14 aldehyde(1-) . It is also related to or classified as C20-gibberellin , gibberellin monocarboxylic acid .
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CNC C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CNC is N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC[C@H](C)[C@H](NC)C(O)=O CC[C@H](C)[C@H](NC)C(O)=O is an N-methyl-L-amino acid that is L-isoleucine in which one of the hydrogens attached to the alpha-nitrogen is substituted by a methyl group.  It is also related to or classified as N-methylisoleucine  . It is also related to or classified as N-methyl-L-alpha-amino acid .
The molecule C1(C2=C(OC(=C1O)/C=C/C=C/CCCCC)C(NC2=O)C)=O C1(C2=C(OC(=C1O)/C=C/C=C/CCCCC)C(NC2=O)C)=O is A member of the class of pyranopyrroles with formula C17H21NO4, originally isolated from Aspergillus niger. It has the role of marine metabolite . It has the role of Aspergillus metabolite .  It is also related to or classified as enol  . It is also related to or classified as pyranopyrrole , cyclic ketone , gamma-lactam .
The molecule CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=NC7=C(N=CN=C76)N)COP(=O)(O)O[C@@H]8[C@H](O[C@H]([C@@H]8O)N9C=NC1=C(N=CN=C19)N)COP(=O)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N1C=NC2=C(N=CN=C21)N)CO)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C(N=CN=C21)N)O)O is an oligonucleotide comprised of a sequence of eight adenosine, five thymidine and a further eight adenosine residues connected via 3'->5' phosphodiester linkages. It contains a 2'-deoxyadenosine 5'-monophosphate residue and a thymidine 5'-monophosphate residue.
The molecule O1C=2C3=C(C(CCN(C)C)=CC2OC1)C=CC=4C3=CC=CC4 O1C=2C3=C(C(CCN(C)C)=CC2OC1)C=CC=4C3=CC=CC4 is an organic heterotetracyclic compound that is 2-(2H-phenanthro[3,4-d][1,3]dioxole in which the hydrogen at position 5 has been replaced by a 2-(dimethylamino)ethyl group. It is also related to or classified as organic heterotetracyclic compound , tertiary amino compound , cyclic acetal .
The molecule CCCCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)O is a fatty acid-taurine conjugate derived from stearic acid. It has a role as a mouse metabolite. It derives from an octadecanoic acid. It is a conjugate acid of a N-stearoyltaurine(1-).
The molecule CCCC(CCC)C(=O)N is a fatty amide derived from valproic acid. It has a role as a metabolite and a teratogenic agent. It derives from a valproic acid.
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3 C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3 is N-[[(3S,9S,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C(O)/C=C/C=C/C=C/[C@@H]1O[C@](C(=O)O)(C)O[C@H]1C O=C(O)/C=C/C=C/C=C/[C@@H]1O[C@](C(=O)O)(C)O[C@H]1C is Fradic acid A. It is also related to or classified as medium-chain fatty acid  .
The molecule OCC(C)(O)C OCC(C)(O)C is A glycol that is 2-methylpropane in which the two hydroxy groups are located at positions 1 and 2.. It has the role of mouse metabolite . It has the role of human xenobiotic metabolite . It has the role of bacterial xenobiotic metabolite . It has the role of human urinary metabolite . It has the role of rat metabolite . It is also related to or classified as glycol  . It is also related to or classified as primary alcohol  . It is also related to or classified as tertiary alcohol  .
The molecule CCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-] is a butyrate ester resulting from the formal condensation of the hydroxy group of 4-nitrophenol with the carboxy group of butyric acid. It is a butyrate ester and a C-nitro compound. It derives from a 4-nitrophenol.
The molecule O1C(OC=2C(=CC(=C(O)C2)C(=O)C(O)CC3=CC(CC=C(C)C)=C(O)C=C3)CC=C(C)C)C(O)C(O)C(O)C1C(O)=O O1C(OC=2C(=CC(=C(O)C2)C(=O)C(O)CC3=CC(CC=C(C)C)=C(O)C=C3)CC=C(C)C)C(O)C(O)C(O)C1C(O)=O is 3,4,5-trihydroxy-6-(5-hydroxy-4-{2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoyl}-2-(3-methylbut-2-en-1-yl)phenoxy)oxane-2-carboxylic acid. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [C@]12(CC[C@@H]([C@@]([C@]1([C@@H]([C@]34[C@]2(CC[C@H](C3)C(C4)=C)[H])C=O)[H])(C)C(=O)[O-])O)C [C@]12(CC[C@@H]([C@@]([C@]1([C@@H]([C@]34[C@]2(CC[C@H](C3)C(C4)=C)[H])C=O)[H])(C)C(=O)[O-])O)C is A carboxylic acid anion obtained by deprotonation of the carboxy group of gibberellin A14 aldehyde. It is also related to or classified as gibberellin carboxylic acid anion .
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F is N-[[(3S,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4,4,4-trifluoro-N-methylbutanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCN1C(=O)NC(C1=O)c1ccccc1 CCN1C(=O)NC(C1=O)c1ccccc1 is an imidazolidine-2,4-dione that is hydantoin substituted by ethyl and phenyl at positions 3 and 5, respectively. An antiepileptic, it is less toxic than phenytoin but also less effective. It has the role of anticonvulsant . It is also related to or classified as imidazolidine-2,4-dione .
The molecule S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@H]5O[C@H]5[C@H](C4)O)[C@@H]6[C@H]7O[C@H]7[C@H](C=C6C2)O)C S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@H]5O[C@H]5[C@H](C4)O)[C@@H]6[C@H]7O[C@H]7[C@H](C=C6C2)O)C is Mycoediketopiperazine. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(=O)/C=C/C2=CC(O)=C(O)C=C2)C(O)=O O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(=O)/C=C/C2=CC(O)=C(O)C=C2)C(O)=O is Caffeoyl C1-glucuronide. Its functional parent is hydroxycinnamic acid . It is also related to or classified as glycoside  .
The molecule C1=CC=C(C=C1)/C=C/C(=O)NCC(=O)O is an N-acylglycine in which the acyl group is specified as (2E)-3-phenylprop-2-enoyl (cinnamoyl). It has a role as a metabolite. It is a conjugate acid of a N-cinnamoylglycinate.
The molecule CCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCCC)O)C(=O)OCC(CO)O is a mycolate ester formed by esterification of keto-meromycolic acid with the 1-OH of glycerol. It has a role as an antigen. It derives from a keto-meromycolic acid and a glycerol.
The molecule O=C1OC(=O)C(=C1CCCCCCCCCCCCCC/C(/C(=O)O)=C(\C(=O)O)/CC(=O)O)C O=C1OC(=O)C(=C1CCCCCCCCCCCCCC/C(/C(=O)O)=C(\C(=O)O)/CC(=O)O)C is Skeletocutin F. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule C1=CC=C2C(=C1)N=C3C=CC=C(C3=N2)C(=O)O is an aromatic carboxylic acid that is phenazine substituted at C-1 with a carboxy group. It has a role as an antimicrobial agent, a bacterial metabolite and an antifungal agent. It is a member of phenazines, a monocarboxylic acid and an aromatic carboxylic acid. It is a conjugate acid of a phenazine-1-carboxylate.
The molecule C[N+]1=CC=CC(=C1)C(=O)[O-] is an iminium betaine that is the conjugate base of N-methylnicotinic acid, arising from deprotonation of the carboxy group. It has a role as a plant metabolite, a food component and a human urinary metabolite. It is an iminium betaine and an alkaloid. It derives from a nicotinate. It is a conjugate base of a N-methylnicotinic acid.
The molecule N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(O)=O N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(O)=O is an organic disulfide that is the L-cysteinyl derivative of glutathione. It has the role of human metabolite .  It is also related to or classified as organic disulfide  . It is also related to or classified as glutathione derivative , dicarboxylic acid monoamide .
The molecule [C@H]1([C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)C(=O)[O-] [C@H]1([C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)C(=O)[O-] is alpha-D-mannopyranuronate.  It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as carbohydrate acid anion .
The molecule CC1(C)C2CC(O)C(=C)C1C2 CC1(C)C2CC(O)C(=C)C1C2 is A  pinane monoterpenoid that is a bicyclo[3.1.1]heptane substituted by two methyl groups at position 6, a methylidene group at position 2 and a hydroxy group at position 3. It has the role of volatile oil component . It has the role of GABA modulator . It has the role of mouse metabolite . It has the role of plant metabolite .  It is also related to or classified as secondary alcohol  . It is also related to or classified as pinane monoterpenoid , carbobicyclic compound .
The molecule C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OP(=O)([O-])[O-])O)O)O)O is dianion of alpha-L-galactose 1-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3. It has a role as a fundamental metabolite. It is a conjugate base of an alpha-L-galactose 1-phosphate. It is an enantiomer of an alpha-D-galactose 1-phosphate(2-).
The molecule CC(\C=C\C=C(C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C CC(\C=C\C=C(C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C is an  epoxycarotenol that is beta-carotene-3,3'-diol in which one of the one of the endocyclic double bonds has been oxidised to the corresponding epoxide. It is a neutral yellow plant pigment found in Euglenophyta. It has the role of biological pigment . It has the role of marine metabolite . It has the role of plant metabolite . It is also related to or classified as epoxycarotenol .
The molecule C\C=C(/N)C(O)=O C\C=C(/N)C(O)=O is A 2,3-dehydroamino acid resulting from the formal elimination of water from the side-chain of threonine. Its functional parent is 2-butenoic acid .   It is also related to or classified as enamine  . It is also related to or classified as 2,3-dehydroamino acid , threonine derivative .
The molecule [H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@](C)(CCC[C@@]21C(O)=O)C(O)=O [H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@](C)(CCC[C@@]21C(O)=O)C(O)=O is A C20-gibberellin that is gibberellin A12 in which the 4a-methyl group is oxidised to the corresponding carboxylic acid. Its functional parent is gibberellin A12 . It is a conjugate acid of gibberellin A25(3-) . It is also related to or classified as C20-gibberellin , tricarboxylic acid .
The molecule O=[N+]([O-])C1=C2C(NC=C2C[C@@H]3N(C(=O)[C@](O)(CC4=CC(O)=CC=C4)N(C3=O)C)C)=CC=C1 O=[N+]([O-])C1=C2C(NC=C2C[C@@H]3N(C(=O)[C@](O)(CC4=CC(O)=CC=C4)N(C3=O)C)C)=CC=C1 is Thaxtomin A. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C is a phosphatidylcholine 38:1 in which the acyl groups at positions 1 and 2 are specified as (9Z)-octadecenoyl and eicosanoyl respectively. It derives from an icosanoic acid and an oleic acid.
The molecule C1=CC=C(C(=C1)C(=O)O)N[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O is a ribose monophosphate and a N-glycosyl compound. It derives from an anthranilic acid. It is a conjugate acid of a N-(5-phosphonato-beta-D-ribosyl)anthranilate.
The molecule [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(OC(=O)CCCC)C(=O)CO [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(OC(=O)CCCC)C(=O)CO is cortisol 17-valerate. It is also related to or classified as primary alpha-hydroxy ketone  .   It is also related to or classified as valerate ester  . It is also related to or classified as cortisol ester , glucocorticoid .
The molecule CC[NH+](CC)CC(=O)NC1=C(C=CC=C1C)C.[Cl-] is the anhydrous form of the hydrochloride salt of lidocaine. It has a role as a local anaesthetic and an anti-arrhythmia drug. It contains a lidocaine.
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3 C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3 is 4,4,4-trifluoro-N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [O-]S(=O)S(=O)(=O)[O-].[Na+].[Na+] is an inorganic sodium salt composed of sodium and disulfite ions in a 2:1 ratio. It has a role as a food antioxidant. It contains a disulfite.
The molecule Oc1ccc(cc1)[C@@H]1CC(=O)c2ccc(O)cc2O1 Oc1ccc(cc1)[C@@H]1CC(=O)c2ccc(O)cc2O1 is A dihydroxyflavanone compound having the two hydroxy substituents at the 4'- and 7-positions. Isolated from the root of Glycyrrhizae uralensis, it is a selective agonist for oestrogen receptor beta. It has the role of hormone agonist . It has the role of plant metabolite . It is also related to or classified as 4',7-dihydroxyflavanone  .
The molecule NC(=[NH2+])NCCCCNP([O-])([O-])=O NC(=[NH2+])NCCCCNP([O-])([O-])=O is conjugate base of N(4)-phosphoagmatine arising from deprotonation of the N-phospho group and protonation of the guanidino group; major species at pH 7.3. It is also related to or classified as organic phosphoramidate anion .
The molecule CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C is an O-acyl-L-carnitine where the acyl group specified is acetyl. It facilitates movement of acetyl-CoA into the matrices of mammalian mitochondria during the oxidation of fatty acids. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . Its functional parent is carnitine . It is also related to or classified as saturated fatty acyl-L-carnitine  . It is also related to or classified as O-acetylcarnitine  .
The molecule [C@@]1([C@@]2([C@@]([C@@]3(CC[C@@H]4C[C@@]3([C@H]2C(=O)[O-])CC4=C)[H])(C(=O)[O-])CCC1)[H])(C)C(=O)[O-] [C@@]1([C@@]2([C@@]([C@@]3(CC[C@@H]4C[C@@]3([C@H]2C(=O)[O-])CC4=C)[H])(C(=O)[O-])CCC1)[H])(C)C(=O)[O-] is A tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of gibberellin A25. It is also related to or classified as tricarboxylic acid trianion , gibberellin carboxylic acid anion .
The molecule S(O)(O)(=O)=O.C1C[C@H]([C@@H](O[C@H]2[C@H](O)[C@H](N(C)C(CN)=O)[C@@H](OC)[C@@H](O)[C@@H]2N)O[C@@]1([C@@H](N)C)[H])N.S(O)(O)(=O)=O S(O)(O)(=O)=O.C1C[C@H]([C@@H](O[C@H]2[C@H](O)[C@H](N(C)C(CN)=O)[C@@H](OC)[C@@H](O)[C@@H]2N)O[C@@]1([C@@H](N)C)[H])N.S(O)(O)(=O)=O is astromycin sulfate. Its functional parent is astromicin . It is also related to or classified as aminoglycoside sulfate salt .
The molecule C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)OP(=O)(O)O is a 2'-deoxyadenosine phosphate having a monophosphate group located at the 3'-position. It is a 2'-deoxyadenosine phosphate and a purine 2'-deoxyribonucleoside 3'-monophosphate.
The molecule C1=CC(=C2C(=C1)SC(N2CC(=O)[O-])=O)Cl C1=CC(=C2C(=C1)SC(N2CC(=O)[O-])=O)Cl is A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of benazolin. It is also related to or classified as monocarboxylic acid anion  .
The molecule CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)[NH+](C)C)O is a quaternary ammonium ion resulting from the protonation of the amino group of aclacinomycin T. The major species at pH 7.3. It is a conjugate acid of an aclacinomycin T and an aclacinomycin T zwitterion.
The molecule O([C@H]1C(O)[C@@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)C)[C@@H]5OC[C@@H](O)C(O)[C@H]5O O([C@H]1C(O)[C@@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)C)[C@@H]5OC[C@@H](O)C(O)[C@H]5O is Kaempferol 3-xylosyl-(1->2)-rhamnoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C1([C@@H](NC([C@@H](N1)CCCNC(N)=[NH2+])=O)CC2=CC=C(C=C2)O)=O C1([C@@H](NC([C@@H](N1)CCCNC(N)=[NH2+])=O)CC2=CC=C(C=C2)O)=O is major microspecies at pH 7.3. It is also related to or classified as cyclo(L-arginyl-tyrosyl)(+1)  .
The molecule C1(C2=C(OC(=C1O)/C=C/C=C/CCCCC)C(N(C2=O)C)CO)=O C1(C2=C(OC(=C1O)/C=C/C=C/CCCCC)C(N(C2=O)C)CO)=O is A member of the class of pyranopyrroles with formula C18H23NO5, originally isolated from Aspergillus niger. It has the role of marine metabolite . It has the role of Aspergillus metabolite .  It is also related to or classified as primary alcohol  . It is also related to or classified as enol  . It is also related to or classified as pyranopyrrole , cyclic ketone , gamma-lactam .
The molecule C(C(F)(F)F)(C(F)(F)F)(F)F is a fluorocarbon that is propane in which all of the hydrogens have been replaced by fluorines. It is a fluorocarbon and a fluoroalkane. It derives from a hydride of a propane.
The molecule O=C1OC(=O)CC(=C1CCCCCCCCCCCCCCCCC=2C(=O)OC(C2C)=O)C(=O)OC O=C1OC(=O)CC(=C1CCCCCCCCCCCCCCCCC=2C(=O)OC(C2C)=O)C(=O)OC is Skeletocutin D. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule COc1cc(O)c2cc(O)c([o+]c2c1)-c1cc(OC)c(O)c(OC)c1 COc1cc(O)c2cc(O)c([o+]c2c1)-c1cc(OC)c(O)c(OC)c1 is an anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at positions 3 and 5, a methoxy group at position 7 and a 4-hydroxy-3,5-dimethoxyphenyl group at position 2. It has the role of plant metabolite . It is also related to or classified as 5-hydroxyanthocyanidin  .
The molecule C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N is an aminouracil that is D-ribitol in which the hydroxy group at position 1 is substituted by the 6-amino group of 5,6-diaminouracil. Early intermediate in bacterial riboflavin synthesis. It has a role as a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a hydroxypyrimidine and an aminouracil. It derives from a ribitol.
The molecule CC/C=C\\C[C@H]1[C@H](C=CC1=O)CCCCCCCC(=O)O is an unsaturated fatty acid, a carbocyclic fatty acid and an oxo carboxylic acid. It is a conjugate acid of a (15Z)-12-oxophyto-10,15-dienoate.
The molecule [W+4] [W+4] is tungsten(4+). It is also related to or classified as monoatomic tetracation  . It is also related to or classified as tungsten cation .
The molecule NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O is A kanamycin that is kanamycin B bearing an N-(2S)-4-amino-2-hydroxybutyryl group on the aminocyclitol ring. It has the role of antimicrobial agent . It has the role of antibacterial agent . It has the role of antibacterial drug . It has the role of protein synthesis inhibitor . Its functional parent is kanamycin B . It is also related to or classified as kanamycins , aminoglycoside .
The molecule COC1=CC2=C(C=C1)N(C=C2CC(=O)O)C(=O)C3=CC=C(C=C3)Cl is indole-3-acetic acid substituted on nitrogen with a 4-chlorobenzoyl group and at C-5 by a methoxy group. It is a member of indole-3-acetic acids, a N-acylindole and a member of monochlorobenzenes.
The molecule [Cl-].CCC(=O)N(c1ccccc1)C1(CC[NH+](CCC(=O)OC)CC1)C(=O)OC [Cl-].CCC(=O)N(c1ccccc1)C1(CC[NH+](CCC(=O)OC)CC1)C(=O)OC is the monohydrochloride salt of remifentanil. It has the role of opioid analgesic . It has the role of sedative . It has the role of intravenous anaesthetic . It has the role of mu-opioid receptor agonist . It is also related to or classified as hydrochloride .
The molecule C[C@@H]1[C@H](CC[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)NC is a pyrimidine nucleotide-sugar having thymine as the nucleobase and 4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-glucose as the sugar component. It has a role as a bacterial metabolite. It is a conjugate acid of a dTDP-4-(methylammonio)-2,3,4,6-tetradeoxy-alpha-D-glucose(1-).
The molecule O=C1OC(=O)CC(=C1CCCCCCCCCCCCCCC=2C(=O)OC(C2C)=O)C(=O)OC O=C1OC(=O)CC(=C1CCCCCCCCCCCCCCC=2C(=O)OC(C2C)=O)C(=O)OC is Skeletocutin C. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@@]4(C(=CC3)C[C@@H](O)CC4)C)(CC2)[H])[H])(C[C@@H]1O)[H])C O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@@]4(C(=CC3)C[C@@H](O)CC4)C)(CC2)[H])[H])(C[C@@H]1O)[H])C is 5-Androstene-3beta,16beta,17alpha-triol. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@](C)(CCC[C@@]21C(O)=O)C(O)=O [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@](C)(CCC[C@@]21C(O)=O)C(O)=O is gibberellin A17. It is a conjugate acid of gibberellin A17(3-) . It is also related to or classified as C20-gibberellin , tricarboxylic acid .
The molecule C(=C/C=C/CCCCC)\C=C\C(=C\1/C(C(N(C1=O)C)CO)=O)\O C(=C/C=C/CCCCC)\C=C\C(=C\1/C(C(N(C1=O)C)CO)=O)\O is A member of the class of pyrrolidin-2-ones with formula C18H25NO4, originally isolated from Aspergillus niger. It has the role of marine metabolite . It has the role of Aspergillus metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as enol  . It is also related to or classified as pyrrolidin-2-ones  .
The molecule C[C@@H](C(=O)CCl)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)OC is a tripeptide derived from methoxysuccinyl-Ala-Ala-Pro-Ala by conversion of the terminal carboxy group to the corresponding chloromethyl ketone. It has a role as an EC 3.4.21.37 (leukocyte elastase) inhibitor and an EC 3.4.21.64 (peptidase K) inhibitor. It is an alpha-chloroketone, a tripeptide and a methyl ester. It derives from a succinic acid.
The molecule [O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[Fe+3].[Fe+3].[Fe+3].[Fe+3] is an iron coordination entity composed from Fe(3+) cations and diphosphate(4-) anions in a 4:3 ratio. It contains a diphosphate(4-).