anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCCCCCCCCCCCC/C=C/C(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)C[C@H]([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O is a nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a heptadec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety. It has a role as an antimicrobial agent.
The molecule CC1CCC(CC1O)C(C)=C CC1CCC(CC1O)C(C)=C is A p-menthane monoterpenoid that is the dihydro derivative of  carveol. It has the role of acaricide . It has the role of volatile oil component . It has the role of plant metabolite . Its functional parent is carveol .  It is also related to or classified as secondary alcohol  . It is also related to or classified as p-menthane monoterpenoid .
The molecule [H][C@@]12C[C@@H](CC[C@@](C)(OO)C1=CC[C@@H]2C)C(C)=C [H][C@@]12C[C@@H](CC[C@@](C)(OO)C1=CC[C@@H]2C)C(C)=C is A guaiane sesquiterpenoid that is guaia-1,11-diene substituted by a alpha-hydroperoxy group at position 10. Isolated from Pogostemon cablin, it exhibits trypanocidal activity. It has the role of metabolite . It has the role of trypanocidal drug . It is also related to or classified as peroxol  . It is also related to or classified as guaiane sesquiterpenoid .
The molecule [H]C(=O)Nc1cc(ccc1O)[C@H](O)C[NH2+][C@@H](C)Cc1ccc(OC)cc1 [H]C(=O)Nc1cc(ccc1O)[C@H](O)C[NH2+][C@@H](C)Cc1ccc(OC)cc1 is an ammonium ion resulting from the protonation of the non-formylated amino group of (S,S)-formoterol. It is a conjugate acid of (S,S)-formoterol . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 is an organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(methylamino)propylidene group at position 5. It is an active metabolite of amitriptyline. It has a role as a drug metabolite, an antidepressant, an adrenergic uptake inhibitor, an analgesic, an antineoplastic agent and an apoptosis inducer. It is an organic tricyclic compound and a secondary amine. It derives from an amitriptyline. It derives from a hydride of a dibenzo[a,d][7]annulene.
The molecule CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O is a morphinane alkaloid found in the opium poppy, Papaver somniferum var. album; has analgesic, anti-tussive and anti-diarrhoeal properties. It has a role as an opioid analgesic, an antitussive, an opioid receptor agonist, a prodrug, a xenobiotic, an environmental contaminant and a drug allergen. It is an organic heteropentacyclic compound and a morphinane alkaloid. It derives from a morphine. It is a conjugate base of a codeine(1+).
The molecule [H][C@]1(OC(O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO [H][C@]1(OC(O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO is an N-acylneuraminic acid where the N-acyl group is specified as acetyl. It has the role of antioxidant . It has the role of EC 3.2.1.18 (exo-alpha-sialidase) inhibitor . It has the role of mouse metabolite . It has the role of bacterial metabolite . It has the role of human metabolite . It is a conjugate acid of N-acetylneuraminate . It is also related to or classified as N-acetylneuraminic acids .
The molecule CC\\1=C(C2=C(/C1=C\\C3=CC=C(C=C3)C(C)C)C=CC(=C2)F)CC(=O)O is a sulindac-based non-steroidal anti-inflammatory drug. It has a role as a non-steroidal anti-inflammatory drug. It derives from an acetic acid.
The molecule C(=O)(NC=1C=C2C(C=3C(C2)=CC=CC3)=CC1)C C(=O)(NC=1C=C2C(C=3C(C2)=CC=CC3)=CC1)C is the parent of the class of 2-acetamidofluorenes, being an ortho-fused polycyclic arene that consists of 9H-fluorene bearing an acetamido substituent at position 2. It is a carcinogenic and mutagenic derivative of fluorene. It has the role of mutagen . It has the role of carcinogenic agent . It has the role of epitope . It has the role of antimitotic . It is also related to or classified as 2-acetamidofluorenes .
The molecule O=C(N[C@H]([C@H](O)[C@H](C(=O)O)CC)C(C)C)/C=[N+](/OC)\[O-] O=C(N[C@H]([C@H](O)[C@H](C(=O)O)CC)C(C)C)/C=[N+](/OC)\[O-] is Nitracidomycin B. Its functional parent is gamma-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC(=O)C(C)(O)C(O)=O CC(=O)C(C)(O)C(O)=O is A derivative of butyric acid having methyl, hydroxy and oxo substituents at the 2-, 2- and 3-positions respectively. It has the role of mouse metabolite . Its functional parent is butyric acid . It is a conjugate acid of 2-acetyllactate . It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as 3-oxo monocarboxylic acid , 2-hydroxy monocarboxylic acid .
The molecule CCCCCCCC(O)\C=C/C#CC#CC(O)C=C CCCCCCCC(O)\C=C/C#CC#CC(O)C=C is Seselidiol. It has the role of metabolite . It is also related to or classified as long-chain fatty alcohol  .
The molecule NC(=O)CCOCCOCCOCCOCCOCCNC(=O)C(CCCCNC(=O)c1ccc(o1)[N+]([O-])=O)NC(=O)CCOCCOCCNC(=O)C1CCN(CC1)C(=O)C1CCN(CC1)C(=O)C1CCN(CC1)C(=O)C1CCN(CC1)C(=O)CCOCCOCCNC(=O)CCCc1c[nH]c2ccccc12 NC(=O)CCOCCOCCOCCOCCOCCNC(=O)C(CCCCNC(=O)c1ccc(o1)[N+]([O-])=O)NC(=O)CCOCCOCCNC(=O)C1CCN(CC1)C(=O)C1CCN(CC1)C(=O)C1CCN(CC1)C(=O)C1CCN(CC1)C(=O)CCOCCOCCNC(=O)CCCc1c[nH]c2ccccc12 is A tetrapeptide that consists of four piperidine-4-carboxylic acid units (connected via amide linkages) where the amino terminus is acylated by a 3-[2-(2-{[4-(indol-3-yl)butanoyl]amino}ethoxy)ethoxy]propanoyl group and the carboxy terminus is formally condensed with the amino group of 3-[2-(2-aminoethoxy)ethoxy]propanoic acid, the carboxy group of which is in turn formally condensed with the alpha-amino group of N(6)-5-nitrofuroyllysine bearing a polyether moiety at its carboxy terminus.    It is also related to or classified as polyether  . It is also related to or classified as tetrapeptide  . It is also related to or classified as furans , indoles , C-nitro compound .
The molecule C1=C(O[C@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NS(=O)(=O)O)O[C@H]3[C@@H]([C@H](C(OC3C(=O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)NS(=O)(=O)O)O[C@H]5[C@@H]([C@H](C(OC5C(=O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)NS(=O)(=O)O)O[C@H]7[C@@H]([C@H](C(OC7C(=O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)NS(=O)(=O)O)O)COS(=O)(=O)O)O)O)COS(=O)(=O)O)O)O)COS(=O)(=O)O)O)O)CO)C(=O)O is a heparin octasaccharide consisting of 4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranosyl, (5xi)-D-xylo-hexopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl, (5xi)-D-xylo-hexopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl, (5xi)-D-xylo-hexopyranuronosyl, and 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose units joined in sequence by (1->4) linkages. Sequence: DHexA-GlcNSO3-HexA-GlcNSO3(6SO4)-HexA-GlcNSO3(6SO4)-HexA-GlcNSO3(6SO4). It is a heparin octasaccharide, an oligosaccharide sulfate and an amino octasaccharide.
The molecule C[C@]12C[C@H]([C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)CO)O)O is a steroid lactone that is card-20(22)-enolide substituted by hydroxy groups at positions 3, 5, 11, 14 and 19. It has a role as a metabolite. It is a steroid lactone, a butenolide and a hydroxy steroid. It derives from a hydride of a 5beta-cardanolide.
The molecule CC1=C(C2=CC=CC=C2C(=C1)O)O is a naphthalene-1,4-diol having a methyl substituent at the 2-position. It is a member of naphthalenediols, a member of methylnaphthalenes and a naphthohydroquinone. It derives from a naphthalene-1,4-diol.
The molecule C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)O)N)I)I)O is an iodothyronine compound having iodo substituents at the 3-, 3'- and 5-positions. Although some is produced in the thyroid, most of the 3,3',5-triiodo-L-thyronine in the body is generated by mono-deiodination of L-thyroxine in the peripheral tissues. Its metabolic activity is about 3 to 5 times that of L-thyroxine. The sodium salt is used in the treatment of hypothyroidism. It has a role as a thyroid hormone, a human metabolite and a mouse metabolite. It is an iodophenol, a 2-halophenol and an iodothyronine. It is a conjugate acid of a 3,3',5-triiodo-L-thyroninate. It is a tautomer of a 3,3',5-triiodo-L-thyronine zwitterion.
The molecule [H][C@]1(OC(=O)[C@H](O)[C@@H]1O)[C@H](C)O [H][C@]1(OC(=O)[C@H](O)[C@@H]1O)[C@H](C)O is A five-membered rhamnonolactone having L-configuration. Its functional parent is rhamnonic acid . It is also related to or classified as rhamnonolactone .
The molecule O1C(OC=2C(C(=O)CCC3=CC=CC=C3)=C(O)C=C(O)C2)C(O)C(O)C(O)C1C(O)=O O1C(OC=2C(C(=O)CCC3=CC=CC=C3)=C(O)C=C(O)C2)C(O)C(O)C(O)C1C(O)=O is 6-[3,5-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](OC([C@H](CCCCN)N)=O)[C@H]3O NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](OC([C@H](CCCCN)N)=O)[C@H]3O is an L-lysyl ester obtained by formal condensation of the carboxy group of L-lysine with the 3'-hydroxy group of AMP. It has the role of Mycoplasma genitalium metabolite . Its functional parent is adenosine 5'-monophosphate . It is also related to or classified as L-lysyl ester , purine ribonucleoside 5'-monophosphate , adenosine 5'-phosphate .
The molecule FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOP(=O)(N1CCOCC1)N1CCOCC1 FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOP(=O)(N1CCOCC1)N1CCOCC1 is 2-(perfluorohexyl)ethyl dimorpholinophosphinate. It has the role of nonionic surfactant . It is also related to or classified as organofluorine compound  . It is also related to or classified as morpholines , phosphinamidate .
The molecule C1=CC2=CC3=CC=CC3=CC2=C1 is an indacene that consists of a benzene ring having two fused cyclopentane rings in a rectilinear arrangement. It is an indacene and a member of s-indacenes.
The molecule C(CCCCCCCCCC(O)C(C(OC[C@H]1OC([C@@H]([C@H]([C@@H]1O)O)O)O)=O)CCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCC/C=C/CCCCCCCCCCCCC(OC(CCCCCCCCCCCCCCCCCC)C)=O C(CCCCCCCCCC(O)C(C(OC[C@H]1OC([C@@H]([C@H]([C@@H]1O)O)O)O)=O)CCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCC/C=C/CCCCCCCCCCCCC(OC(CCCCCCCCCCCCCCCCCC)C)=O is A mycolate ester formed by esterification of (21E)-3-hydroxy-35-[(icosan-2-yl)oxy]-35-oxo-2-pentacosylpentatriacont-21-enoic acid with the 6-OH of D-glucose; produced by Mycobacterium phlei. It is also related to or classified as monosaccharide derivative , mycolate ester .
The molecule CC(C)C[C@H]1C(=O)N2[C@@H](CC[C@H]2O)C(=O)N1 is a pyrrolopyrazine that is hexahydropyrrolo[1,2-a]pyrazine-1,4-dione substituted by a hydroxy group at position 6 and a 2-methylpropyl group at position 3. It has been isolated from the mycelia of Cordyceps sinensis. It has a role as a fungal metabolite. It is a pyrrolopyrazine and a dipeptide.
The molecule O1C(C2=CC=3OCOC3C=C2)=C(OC)C(=O)C4=C1C=C(OC)C=C4OC O1C(C2=CC=3OCOC3C=C2)=C(OC)C(=O)C4=C1C=C(OC)C=C4OC is Isokanugin. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C1=CC=CC2=C1N3C(=C(N=C3C2=O)C#N)N C1=CC=CC2=C1N3C(=C(N=C3C2=O)C#N)N is an imidazoindole that is 9H-imidazo[1,2-a]indole which is substituted at positions 2, 3, and 9 by cyano, amino, and oxo groups, respectively. It is also related to or classified as nitrile  . It is also related to or classified as primary amino compound , imidazoindole .
The molecule CC/C=C\\C[C@@H](/C=C/C=C\\CCCCCCCC(=O)O)O is the (13S)-stereoisomer of HOTrE. It has a role as a mouse metabolite. It is a conjugate acid of a 13(S)-HOTrE(1-).
The molecule CN1CC[C@]2(C)[C@H]1N(C)c1ccc(O)cc21 CN1CC[C@]2(C)[C@H]1N(C)c1ccc(O)cc21 is A pyrroloindole that is 1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole substituted by methyl groups at positions 1, 3a and 8 and a hydroxy group at position 5. It is a metabolite of physostigmine and causes neuronal cell death by a mechanism involving loss of cell ATP. It has the role of opioid analgesic . It has the role of human xenobiotic metabolite . It is also related to or classified as phenols  . It is also related to or classified as pyrroloindole .
The molecule NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](OC(=O)CN)[C@H]3O NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](OC(=O)CN)[C@H]3O is A glycinyl ester obtained by formal condensation of the carboxy group of glycinne with the 3'-hydroxy group of AMP. It has the role of Mycoplasma genitalium metabolite . It has the role of bacterial metabolite . Its functional parent is adenosine 5'-monophosphate . It is also related to or classified as purine ribonucleoside 5'-monophosphate , adenosine 5'-phosphate , glycinyl ester .
The molecule C1=CC(=CC2=C1N3C(=C(N=C3C2=O)C#N)N)N4CCN(CC4)C C1=CC(=CC2=C1N3C(=C(N=C3C2=O)C#N)N)N4CCN(CC4)C is an imidazoindole that is 9H-imidazo[1,2-a]indole which is substituted at positions 2, 3, 7, and 9 by cyano, amino, 4-methylpiperazin-1-yl, and oxo groups, respectively. It is also related to or classified as nitrile  . It is also related to or classified as N-arylpiperazine , N-methylpiperazine , primary amino compound , imidazoindole .
The molecule CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC is phosphamidon. It has the role of acaricide . It has the role of agrochemical . It has the role of EC 3.1.1.8 (cholinesterase) inhibitor . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is N,N-diethyl-3-hydroxybut-2-enamide . It is also related to or classified as organochlorine insecticide , organophosphate insecticide , trialkyl phosphate , organophosphate nematicide .
The molecule C(C(CO)OP(=O)(O)O)O is a glycerol monophosphate having the phosphate group at the 2-position. It has a role as a plant metabolite and an Escherichia coli metabolite. It is a conjugate acid of a glycerol 2-phosphate(2-).
The molecule COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O is an organic thiophosphate, an organothiophosphate insecticide and a member of phthalimides. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an acaricide and an agrochemical. It derives from a N-(hydroxymethyl)phthalimide.
The molecule C1[C@]2([C@@]3(CC[C@]4([C@](C3=CC=C2C[C@H](C1)O)(CC[C@@]4([C@@H](CCCC(C)C)C)[H])[H])C)[H])C C1[C@]2([C@@]3(CC[C@]4([C@](C3=CC=C2C[C@H](C1)O)(CC[C@@]4([C@@H](CCCC(C)C)C)[H])[H])C)[H])C is lumisterol 3. It is also related to or classified as Delta(5),Delta(7)-sterol  . It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  . It is also related to or classified as 3beta-sterol  .
The molecule NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](OC([C@H](CCSC)N)=O)[C@H]3O NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](OC([C@H](CCSC)N)=O)[C@H]3O is an L-methionine derivative that is the ester obtained by formal condensation of the carboxy group of L-methionine with the 3'-hydroxy group of AMP. It has the role of Mycoplasma genitalium metabolite . Its functional parent is adenosine 5'-monophosphate .   It is also related to or classified as alpha-amino acid ester  . It is also related to or classified as purine ribonucleoside 5'-monophosphate , adenosine 5'-phosphate , L-methionine derivative .
The molecule ClC=1C(=C(C(=C(C1)Cl)Cl)[O-])O ClC=1C(=C(C(=C(C1)Cl)Cl)[O-])O is A phenolate anion resulting from the deprotonation is of the hydroxy group at position 4 of 3,4,6-trichlorocatechol. The major microspecies at pH 7.3. It is also related to or classified as phenolate anion .
The molecule C1=C(C=C(C2=C1C(=O)C3=CC(=C(C(=C3C2=O)O)C(CCO)CO)O)O)O is a polyphenol that is 9,10-anthraquinone substituted at positions 1, 3, 6 and 8 by hydroxy groups and at position 2 by a 1,4-dihydroxybutan-2-yl group. It has a role as an Aspergillus metabolite. It is a polyphenol and a tetrahydroxyanthraquinone.
The molecule NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](OC([C@H](CC=4C=CC=CC4)N)=O)[C@H]3O NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](OC([C@H](CC=4C=CC=CC4)N)=O)[C@H]3O is an L-phenylalanine derivative that is the ester obtained by formal condensation of the carboxy group of L-phenylalanine with the 3'-hydroxy group of AMP. It has the role of Mycoplasma genitalium metabolite . Its functional parent is adenosine 5'-monophosphate .   It is also related to or classified as alpha-amino acid ester  . It is also related to or classified as purine ribonucleoside 5'-monophosphate , adenosine 5'-phosphate , L-phenylalanine derivative .
The molecule [C@@H]1([C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H](C=C(O3)C(=O)[O-])O)O)O)O)O)O)O[C@@H]4[C@H](C(O[C@@H]([C@H]4O)CO)O)O [C@@H]1([C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H](C=C(O3)C(=O)[O-])O)O)O)O)O)O)O[C@@H]4[C@H](C(O[C@@H]([C@H]4O)CO)O)O is A carbohydrate acid anion that results from the deprotonation of the carboxylic acid group of beta-D-Delta(4)-GlcpA-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-D-Glcp. The major species at pH 7.3. It is also related to or classified as carbohydrate acid anion .
The molecule C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C is an oxo-5beta-cholanic acid that is ursodeoxycholic acid carrying an additional oxo substituent at position 12. It is an oxo-5beta-cholanic acid, a 12-oxo steroid, a 7beta-hydroxy steroid and a 3alpha-hydroxy steroid. It derives from an ursodeoxycholic acid. It is a conjugate acid of a 3alpha,7beta-dihydroxy-12-oxo-5beta-cholanate.
The molecule S(OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@@H]2O)CO)O[C@@H]3[C@@H](NC(=O)C)[C@@H](O[C@@H]([C@@H]3O)CO)O)[C@H](NC(=O)C)[C@@H](O)[C@@H]1O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)(O)(=O)=O S(OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@@H]2O)CO)O[C@@H]3[C@@H](NC(=O)C)[C@@H](O[C@@H]([C@@H]3O)CO)O)[C@H](NC(=O)C)[C@@H](O)[C@@H]1O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)(O)(=O)=O is [(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate. It is also related to or classified as carbohydrates and carbohydrate derivatives .
The molecule CC/C=C\\C/C=C\\C=C\\[C@@H](C/C=C\\C/C=C\\CCCCCC(=O)O)O is a polyunsaturated hydroxy fatty acid that consists of (7Z,10Z,14E,16Z,19Z)-docosapentaenoic acid bearing a single hydroxy substituent at the 13R-position. It has a role as a human xenobiotic metabolite and a mouse metabolite. It derives from a (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid. It is a conjugate acid of a (7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosapentaenoate.
The molecule [C@@H]1([C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O[C@@H]3[C@H](C(O[C@@H]([C@H]3O)CO)O)O [C@@H]1([C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O[C@@H]3[C@H](C(O[C@@H]([C@H]3O)CO)O)O is A trisaccharide consisting of beta-D-glucopyranosyl, alpha-L-rhamnopyranosyl and D-glucopyranosyl residues connected in sequence by (1->4) and (1->3) links, respectively. It is also related to or classified as trisaccharide .
The molecule CC(=O)c1ccc(O)cc1O CC(=O)c1ccc(O)cc1O is A dihydroxyacetophenone that is acetophenone carrying hydroxy substituents at positions 2' and 4'. It has the role of plant metabolite . It is also related to or classified as dihydroxyacetophenone , resorcinols .
The molecule CCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C is an acylcholine obtained by formal condensation of the carboxy group of hexadecanoic acid with the hydroxy group of choline. It derives from a hexadecanoic acid.
The molecule C(CCC)C[C@@H](\C=C\C=C/C\C=C/C=C/[C@H](CCCC(O)=O)OO)O C(CCC)C[C@@H](\C=C\C=C/C\C=C/C=C/[C@H](CCCC(O)=O)OO)O is A 5-hydroperoxy-15-HETE stereoisomer that has 5S,15S configuration. It is a conjugate acid of (5S,15S)-5-hydroperoxy-15-HETE(1-) . It is also related to or classified as 5-hydroperoxy-15-HETE  .
The molecule [H][C@@]1(CC[C@@]2([H])C(\C=C\C3=C(C)CC[C@H](O)C3)=CCC[C@]12C)[C@H](C)CCCC(C)C [H][C@@]1(CC[C@@]2([H])C(\C=C\C3=C(C)CC[C@H](O)C3)=CCC[C@]12C)[C@H](C)CCCC(C)C is A hydroxy seco-steroid that results from the photoisomerization of previtamin D3. It has the role of human metabolite . It is also related to or classified as secondary alcohol  . It is also related to or classified as seco-cholestane , hydroxy seco-steroid .
The molecule O=C1C2=C(O)C=C(OC)C=C2[C@@H](O)[C@H]3[C@H]1CO[C@@H](C3)C O=C1C2=C(O)C=C(OC)C=C2[C@@H](O)[C@H]3[C@H]1CO[C@@H](C3)C is Ulosporin C. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](OC2O)CO)O)O)O)O)O is a glycosylglucose consisting of beta-D-xylopyranose and D-glucopyranose residues joined in sequence by a (1->2) glycosidic bond. It derives from a beta-D-xylose and a D-glucopyranose.
The molecule OC(=O)C(NC)CC(C)C OC(=O)C(NC)CC(C)C is A leucine derivative obtained by replacement of one of the amino hydrogens of leucine by a methyl group. It is also related to or classified as amino acid , leucine derivative , secondary amino compound .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NC(=O)C)O)CO)COP(=O)(O)O)O)O is a disaccharide phosphate that is diacetylchitobiose substituted at position 6' by a phospho group. It derives from a beta-D-glucosaminyl-(1->4)-D-glucosamine. It is a conjugate acid of a diacetylchitobiose-6'-phosphate(2-).
The molecule CC1=C(C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)O)C)C)C)C)C=O)O is a pentacyclic triterpenoid with formula C30H44O5, originally isolated from the bark of Tripterygium wilfordii. It has a role as a plant metabolite. It is a pentacyclic triterpenoid, a hydroxy monocarboxylic acid, an enone, a cyclic terpene ketone, an enol and an aliphatic aldehyde. It derives from a hydride of a friedelane.
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C3=C4C(OC2C5=CC(O)=C(O)C=C5)=CC(=[OH+])C=C4OC(=C3)C)CO[C@@H]6O[C@H]([C@H](O)[C@@H](O)[C@H]6O)C O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C3=C4C(OC2C5=CC(O)=C(O)C=C5)=CC(=[OH+])C=C4OC(=C3)C)CO[C@@H]6O[C@H]([C@H](O)[C@@H](O)[C@H]6O)C is Pyranocyanin A. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule O[C@H]([C@H](O)[C@H](O)COP(O)(=O)O)[C@@H](O)[C@H](O)C(=O)CO O[C@H]([C@H](O)[C@H](O)COP(O)(=O)O)[C@@H](O)[C@H](O)C(=O)CO is A ketooctose derivative that is D-glycero-D-altro-octulose carrying a single phosphate substituent at position 8. It has the role of mouse metabolite . It is also related to or classified as ketose phosphate , ketooctose derivative .
The molecule C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)[N+](=O)[O-] is a nitroarene that is pyrene substituted at the 1-position by a nitro group. A by-product of combustion, it is the predominant nitrated polycyclic aromatic hydrocarbon emitted in a diesel engine. It has a role as a carcinogenic agent. It derives from a hydride of a pyrene.
The molecule C(CCNCC(=O)N)CC(C(=O)O)N is a lysine derivative in which the N(epsilon) of the amino acid carries a carbamoylmethyl group. It is a lysine derivative and a non-proteinogenic alpha-amino acid.
The molecule C([C@H]([C@@H](C(=O)C(=O)[O-])O)O)O is a ketoaldonate and a member of xylonates. It derives from a D-xylonate. It is a conjugate base of a D-xylulosonic acid.
The molecule O1C([C@@H](O)C(O)C(O)[C@@H]1OC2=C(O)C=C(C=C2)C=3OC=4C(C(=O)C3)=C(O)C(OC)=C(OC)C4)CC O1C([C@@H](O)C(O)C(O)[C@@H]1OC2=C(O)C=C(C=C2)C=3OC=4C(C(=O)C3)=C(O)C(OC)=C(OC)C4)CC is 6-Hydroxyluteolin 6,7-dimethyl ether 4'-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C1(C/C=C(/CCC=C(C)C)\C)=C2C(=CC(=C1O)O)C=CC(O2)=O C1(C/C=C(/CCC=C(C)C)\C)=C2C(=CC(=C1O)O)C=CC(O2)=O is A member of the class of hydroxycoumarins that is esculetin in which the ring hydrogen at position 8 has been replaced by a geranyl group. Its functional parent is esculetin . It is also related to or classified as monoterpenoid , hydroxycoumarin .