anonymous041/ChEBI-Augmented huggingface dataset:
The molecule N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP([O-])(OC([C@H](CCC([O-])=O)[NH3+])=O)=O)[C@H]([C@H]3O)O N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP([O-])(OC([C@H](CCC([O-])=O)[NH3+])=O)=O)[C@H]([C@H]3O)O is L-glutamyl-AMP(1-). Its functional parent is adenosine 5'-monophosphate . It is also related to or classified as organophosphate oxoanion .
The molecule CCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCC(=O)NC1=CC(CCCCC)=CC=C1 CCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCC(=O)NC1=CC(CCCCC)=CC=C1 is A synthetic alpha-galactosylsphingamide in which the galactose ring carries a (2S,3S,4R)-3,4-dihydroxy-2-(octanoylamino)-8-oxo-8-[(3-pentylphenyl)amino]octyl moiety at O-1. It has the role of epitope . It is also related to or classified as alpha-galactosylsphingamide .
The molecule S(C=1N=CC=CC1C(=O)N)C S(C=1N=CC=CC1C(=O)N)C is 2-(methylthio)nicotinamide. Its functional parent is nicotinamide . It is also related to or classified as pyridinecarboxamide .
The molecule CCN1C(=CC=N1)C(=O)NC2=NC=C(C=C2)Cl CCN1C(=CC=N1)C(=O)NC2=NC=C(C=C2)Cl is N-(5-chloro-2-pyridinyl)-2-ethyl-3-pyrazolecarboxamide. It is also related to or classified as heteroarene  . It is also related to or classified as aromatic amide .
The molecule [H][C@@]12CC[C@@]3(C)[C@@H](O)[C@]1([H])C(C)(C)CCC[C@@]23C [H][C@@]12CC[C@@]3(C)[C@@H](O)[C@]1([H])C(C)(C)CCC[C@@]23C is A sesquiterpenoid that is (1R,3aR,4S,8aS)-1,5,5,8a-tetramethyldecahydro-1,4-methanoazulene substituted by a hydroxy group at position 9S. It has the role of insect attractant . 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 sesquiterpenoid , carbotricyclic compound .
The molecule Oc1c(Cl)cc(Cl)c(Cl)c1O Oc1c(Cl)cc(Cl)c(Cl)c1O is 3,4,6-trichlorocatechol. It is a conjugate acid of 3,4,6-trichlorocatechol(1-) . It is also related to or classified as trichlorocatechol .
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)O[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3O[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4OC[C@@H]5[C@H]([C@@H]([C@@H]([C@H](O5)OP(=O)(O)OC[C@@H]6[C@H]([C@@H]([C@@H]([C@H](O6)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)CO)O)O)CO)O)O)CO)O)O)O)O)O is a polymannosidic phosphodiester in which one secondary phosphoryl is linked as mannose 6-phosphate and the other as alpha-hemiacetal phosphate. It is a mannan derivative and a polysaccharide phosphate.
The molecule OC[C@H](O)[C@@H](O)C(=O)COP(O)(O)=O OC[C@H](O)[C@@H](O)C(=O)COP(O)(O)=O is L-xylulose 1-phosphate. Its functional parent is L-xylulose . It is also related to or classified as xylulose phosphate .
The molecule C[C@@H](O)CSCCS([O-])(=O)=O C[C@@H](O)CSCCS([O-])(=O)=O is conjugate base of (R)-2-hydroxypropyl-CoM. It is also related to or classified as organosulfonate oxoanion  .
The molecule N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP([O-])(OC([C@H](CC4=CNC5=C4C=CC=C5)N)=O)=O)[C@H]([C@H]3O)O N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP([O-])(OC([C@H](CC4=CNC5=C4C=CC=C5)N)=O)=O)[C@H]([C@H]3O)O is L-tryptophyl-AMP(1-). Its functional parent is adenosine 5'-monophosphate . It is also related to or classified as organophosphate oxoanion .
The molecule COC1=C(C=CC(=C1)C=C2CCC(=CC3=CC(=C(C=C3)O)OC)C2=O)O COC1=C(C=CC(=C1)C=C2CCC(=CC3=CC(=C(C=C3)O)OC)C2=O)O is 2,5-bis[(4-hydroxy-3-methoxyphenyl)methylidene]-1-cyclopentanone. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
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 tetrasaccharide consisting of beta-D-Delta(4)-glucopyranuronic acid, beta-D-glucopyranosyl, alpha-L-rhamnopyranosyl and D-glucopyranosyl residues, joined in sequence by (1->4), (1->4) and (1->3)-glycosidic bonds, respectively. It is a conjugate acid of beta-D-Delta(4)-GlcpA-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-D-Glcp(1-) .   It is also related to or classified as tetrasaccharide  . It is also related to or classified as monocarboxylic acid , carbohydrate acid .
The molecule CCOP(=O)(OCC)OC(=CCl)c1ccc(Cl)cc1Cl CCOP(=O)(OCC)OC(=CCl)c1ccc(Cl)cc1Cl is chlorfenvinfos. 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 . It is also related to or classified as dichlorobenzene  . It is also related to or classified as organic phosphate , organochlorine insecticide , organophosphate insecticide , organochlorine acaricide .
The molecule CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\\C/C=C\\C/C=C\\CC is a 1,2-diacyl-sn-glycerol in which the acyl groups positions 1 and 2 are specified as alpha-linolenoyl and icosanoyl (arachidoyl) respectively. It has a role as a human blood serum metabolite. It is a 1,2-diacyl-sn-glycerol and a diacylglycerol 38:3. It derives from an alpha-linolenic acid and an icosanoic acid.
The molecule CO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O CO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O is A derivative of beta-D-glucuronic acid in which a methyl group is present at the anomeric position. Its functional parent is beta-D-glucuronic acid . It is also related to or classified as D-glucuronic acid .
The molecule C=12C(=C3C(=C(C(=CC3=CC1C[C@H](OC2=O)C[C@@H](C[C@@H](CCCCCO)O)O)OC)C4=C(C5=C(C=6C(O[C@@H](CC6C=C5C=C4OC)C[C@@H](C[C@@H](CCCCCO)O)O)=O)O)O)O)O C=12C(=C3C(=C(C(=CC3=CC1C[C@H](OC2=O)C[C@@H](C[C@@H](CCCCCO)O)O)OC)C4=C(C5=C(C=6C(O[C@@H](CC6C=C5C=C4OC)C[C@@H](C[C@@H](CCCCCO)O)O)=O)O)O)O)O is A binaphthopyran resulting from the oxidative coupling at position 8 of two molecules of monapinone E. Its functional parent is monapinone E . It is also related to or classified as binaphthopyran , naphtho-alpha-pyrone .
The molecule [SiH3]C1=CC=CC=C1 [SiH3]C1=CC=CC=C1 is an organosilicon compound that is benzene in which a hydrogen is replaced by a silyl group. It has the role of reducing agent . It is also related to or classified as benzenes , organosilicon compound .
The molecule [H][C@@]1(CC[C@@]2([H])[C@]3([H])C=CC4=CC(=O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O [H][C@@]1(CC[C@@]2([H])[C@]3([H])C=CC4=CC(=O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O is A 3-oxo Delta(4)-steroid that is 3-oxochola-4,6-dien-24-oic acid carrying an additional hydroxy group at the 12alpha-position. Its functional parent is chola-4,6-dien-24-oic acid . It is a conjugate acid of 12alpha-hydroxy-3-oxochola-4,6-dien-24-oate .  It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as 12alpha-hydroxy steroid .
The molecule CC(F)c1ncnc(NCCc2ccc(OC(F)(F)F)cc2)c1Cl CC(F)c1ncnc(NCCc2ccc(OC(F)(F)F)cc2)c1Cl is flufenerim. It is also related to or classified as organochlorine insecticide , pyrimidinamine insecticide , organofluorine insecticide , aminopyrimidine .
The molecule C1[C@H]([C@@H]1N)C2=CC=CC=C2.Cl is a hydrochloride obtained by combining (1R,2S)-tranylcypromine with one equivalent of hydrochloric acid. It contains a (1R,2S)-tranylcypromine(1+). It is an enantiomer of a (1S,2R)-tranylcypromine hydrochloride.
The molecule C12=CC=CC3=C1C([C@@]4([C@](C2(C)C)([H])C[C@H]([C@]([C@@H]4[N+]#[C-])(C)C=C)Cl)[H])=CN3 C12=CC=CC3=C1C([C@@]4([C@](C2(C)C)([H])C[C@H]([C@]([C@@H]4[N+]#[C-])(C)C=C)Cl)[H])=CN3 is A hapalindole that is hapalindole U in which the pro-R hydrogen at position 8 has been replaced by a chlorine. It is produced by the cyanobacterium Fischerella ambigua. It is also related to or classified as hapalindole  . It is also related to or classified as isocyanide  . It is also related to or classified as organochlorine compound  . It is also related to or classified as organic heterotetracyclic compound .
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)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)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F is 4,4,4-trifluoro-N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(C)(C)c1ccc(CCOc2ncnc3ccccc23)cc1 CC(C)(C)c1ccc(CCOc2ncnc3ccccc23)cc1 is fenazaquin. It has the role of acaricide . It has the role of mitochondrial NADH:ubiquinone reductase inhibitor . It is also related to or classified as quinazolines .
The molecule C=1(C(=CC=CC1Cl)Cl)C=2C(=C(C=CC2)O)O C=1(C(=CC=CC1Cl)Cl)C=2C(=C(C=CC2)O)O is A hydroxybiphenyl that is catechol in which the hydrogen at position 3 has been replaced by a 2,6-dichlorophenyl group. Its functional parent is biphenyl-2,3-diol . It is also related to or classified as dichlorobenzene  . It is also related to or classified as hydroxybiphenyls  . It is also related to or classified as catechols  .
The molecule [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O is 7alpha,12alpha-dihydroxy-3-oxochol-4-en-24-oic acid. Its functional parent is chol-4-en-24-oic acid . It is a conjugate acid of 7alpha,12alpha-dihydroxy-3-oxochol-4-en-24-oate . It is also related to or classified as 7alpha-hydroxy steroid  .  It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as 12alpha-hydroxy steroid .
The molecule COC1=CC2=C(C=C1)C(=C3C4=C2C5=C(C=C4CCN3)OCO5)C6=C7C8=C(C9=C6C=CC(=C9)OC)C1=C(C=C8CCN7)OCO1 is an isoquinoline alkaloid that is a dimer of 10-methoxydehydroanonaine. Isolated from the roots of Polyalthia debilis, it exhibits moderate antimalarial activity by inhibiting the growth of the malarial parasite Plasmodium falciparum. It has a role as a metabolite and an antimalarial. It is an aromatic ether, a biaryl, an isoquinoline alkaloid, a member of isoquinolines and an oxacycle. It derives from a (-)-annonaine.
The molecule C12=C(C=3C(=CC(=CC3C=C1C[C@H](OC2=O)C[C@@H](C[C@@H](CCCCCO)O)O)OC)O)O C12=C(C=3C(=CC(=CC3C=C1C[C@H](OC2=O)C[C@@H](C[C@@H](CCCCCO)O)O)OC)O)O is A naphthopyran that is 3,4-dihydronaphtho[2,3-c]pyran-1-one which is substituted by a (2R,4R)-2,4,9-trihydroxynonyl group at position 3 and a methoxy group at position 7. Published in Acta Pharm. Sin. B, 2013, 3, 163-166. See also J. Antibiot., 2011, 64, 503-508.  It is also related to or classified as primary alcohol  . It is also related to or classified as delta-lactone  . It is also related to or classified as phenols  .  It is also related to or classified as secondary alcohol  . It is also related to or classified as naphtho-alpha-pyrone , aromatic ether .
The molecule C12=CC=CC3=C1C([C@@]4([C@](C2(C)C)([H])CC[C@]([C@@H]4[N+]#[C-])(C)C=C)[H])=CN3 C12=CC=CC3=C1C([C@@]4([C@](C2(C)C)([H])CC[C@]([C@@H]4[N+]#[C-])(C)C=C)[H])=CN3 is A hapalindole that is hapalindole H in which the octahydronaphthalene ring junction carbons both have S configuration instead of R. It is also related to or classified as hapalindole  . It is also related to or classified as isocyanide  . It is also related to or classified as organic heterotetracyclic compound .
The molecule CCCCCCCCCNC(=O)CCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC CCCCCCCCCNC(=O)CCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC is A synthetic alpha-galactosylsphingamide in which the galactose ring carries a (2S,3S,4R)-3,4-dihydroxy-2-(hexanoylamino)-8-(hexylamino)-8-oxo-octyl moiety at O-1. It has the role of epitope . It is also related to or classified as alpha-galactosylsphingamide .
The molecule [C@H]1([C@H]([C@@H]([C@@H]([NH3+])[C@@H](O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O)O[C@H]3[C@@H]([C@H](C[C@H]([C@@H]3O)[NH3+])[NH3+])O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C[NH3+])O)O)[NH3+])O1)O)O)C[NH3+] [C@H]1([C@H]([C@@H]([C@@H]([NH3+])[C@@H](O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O)O[C@H]3[C@@H]([C@H](C[C@H]([C@@H]3O)[NH3+])[NH3+])O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C[NH3+])O)O)[NH3+])O1)O)O)C[NH3+] is an organic cation obtained by protonation of the six free amino groups of neomycin C; major species at pH 7.3. It is a conjugate acid of neomycin C . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](CC3)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC(=O)NCC(O)=O)C)[H])[H])C.O O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](CC3)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC(=O)NCC(O)=O)C)[H])[H])C.O is Glycodeoxycholic Acid (hydrate). It is also related to or classified as bile acid glycine conjugate .
The molecule CSCC[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)N is a dipeptide formed from two L-methionine residues. It has a role as a Mycoplasma genitalium metabolite. It derives from a L-methionine.
The molecule CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(O)=O)c1I CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(O)=O)c1I is A member of the class of benzoic acids that is benzoic acid having iodo substituents at the 2-, 4- and 6-positions and acetamido substituents at the 3- and 5-positions. It is used, mainly as its N-methylglucamine and sodium salts, as an X-ray contrast medium in gastrointestinal studies, angiography, and urography. It has the role of xenobiotic . It has the role of radioopaque medium . It has the role of environmental contaminant . It is a conjugate acid of amidotrizoic acid anion .   It is also related to or classified as organoiodine compound  . It is also related to or classified as acetamides , benzoic acids .
The molecule [H]C(C=C)=CC(O)=O [H]C(C=C)=CC(O)=O is A pentadienoic acid with the double bonds at positions 2 and 4. It is a conjugate acid of penta-2,4-dienoate . It is also related to or classified as pentadienoic acid , alpha,beta-unsaturated monocarboxylic acid .
The molecule C1=CC(=CC2=C1C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O)N(CC)CC C1=CC(=CC2=C1C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O)N(CC)CC is A cationic fluorescent dye derived from 9-phenylxanthene. It has the role of fluorochrome . It is also related to or classified as organic cation , xanthene dye .
The molecule [C@@H](O)(P(O)(=O)[O-])C[NH3+] [C@@H](O)(P(O)(=O)[O-])C[NH3+] is A (2-amino-1-hydroxyethyl)phosphonate zwitterion that has (R)-configuration; major microspecies at pH 7.3. It is also related to or classified as (2-amino-1-hydroxyethyl)phosphonate zwitterion  .
The molecule CS(=O)(=O)c1cc(Cl)c(cc1Cl)-c1cc(Cl)c(cc1Cl)S(C)(=O)=O CS(=O)(=O)c1cc(Cl)c(cc1Cl)-c1cc(Cl)c(cc1Cl)S(C)(=O)=O is an member of the class of biphenyls that is 2,2',5,5'-tetrachlorobiphenyl in which the 4 and 4' positions are substituted by methylsulfonyl groups. Its functional parent is 2,2',5,5'-tetrachlorobiphenyl .  It is also related to or classified as dichlorobenzene  . It is also related to or classified as sulfone  . It is also related to or classified as biphenyls .
The molecule C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4CC4 C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4CC4 is 1-[(4S,7S,8R)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule Oc1cc2ccc(=O)oc2cc1O Oc1cc2ccc(=O)oc2cc1O is A  hydroxycoumarin that is umbelliferone in which the hydrogen at position 6 is substituted by a hydroxy group. It is used in filters for absorption of ultraviolet light. It has the role of antioxidant . It has the role of ultraviolet filter . It has the role of plant metabolite . It is also related to or classified as hydroxycoumarin .
The molecule N(C1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(OP(=O)(OP(=O)([O-])[O-])[O-])[O-])[C@@H](O)[C@H]3O)C N(C1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(OP(=O)(OP(=O)([O-])[O-])[O-])[O-])[C@@H](O)[C@H]3O)C is major microspecies at pH 7.3. It is also related to or classified as purine ribonucleoside triphosphate .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC/C=C\\CCCCCCCC is a 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) in which the 1- and 2-acyl groups are specified as octadecanoyl (stearoyl) and 9Z-octadecenoyl (oleoyl) respectively. It is a conjugate acid of a 1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)(1-).
The molecule C=1(C(C(C(C(C(C)C)=O)=C(C1CC=C(C)C)O)=O)(CC=C(C)C)CC=C(C)C)O C=1(C(C(C(C(C(C)C)=O)=C(C1CC=C(C)C)O)=O)(CC=C(C)C)CC=C(C)C)O is A beta-bitter acid in which the acyl group is specified as isobutanoyl. It is a conjugate acid of colupulone(1-) . It is also related to or classified as beta-bitter acid  .
The molecule C1(C(C[C@H](C(=O)[O-])[NH3+])=O)=CC=C(C(=C1N)O)C C1(C(C[C@H](C(=O)[O-])[NH3+])=O)=CC=C(C(=C1N)O)C is zwitterionic form of 3-hydroxy-4-methyl-D-kynurenine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. Its functional parent is 3-hydroxy-D-kynurenine zwitterion . It is also related to or classified as amino-acid zwitterion .
The molecule [H][C@@]12CC[C@@]3(CC)CCCN4CC[C@]1(c1cccc(OC)c1N2C(C)=O)[C@@]34[H] [H][C@@]12CC[C@@]3(CC)CCCN4CC[C@]1(c1cccc(OC)c1N2C(C)=O)[C@@]34[H] is an indole alkaloid having the structure of aspirospermidine methoxylated at C-17 and acetylated at N-1. It is also related to or classified as indole alkaloid .
The molecule CCOC(=O)C=C1N(C(=O)CS1)CC(=O)NC2=CC=CC=C2OC(F)F CCOC(=O)C=C1N(C(=O)CS1)CC(=O)NC2=CC=CC=C2OC(F)F is 2-[3-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]-4-oxo-2-thiazolidinylidene]acetic acid ethyl ester. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O([C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2N)C(=O)C)[C@@H](N)C[C@H]1N)[C@H]3OC[C@](O)([C@H](NC)[C@H]3O)C O([C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2N)C(=O)C)[C@@H](N)C[C@H]1N)[C@H]3OC[C@](O)([C@H](NC)[C@H]3O)C is 6'-Oxo-G418. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .
The molecule CCOC1=CC(CCC(C)=O)=CC=C1O CCOC1=CC(CCC(C)=O)=CC=C1O is A methyl ketone that is 4-phenylbutan-2-one in which the phenyl ring is substituted at positions 3 and 4 by ethoxy and hydroxy groups, respectively. It is a preservative with antimicrobial activity and a good safety profile that has been approved for use in cosmetics. It is structurally similar to zingerone, a phytochemical found in the root of the ginger plant Zingiber officinale. It has the role of antimicrobial cosmetic preservative . It has the role of antibacterial agent . It has the role of antifungal agent . It is also related to or classified as phenols  . It is also related to or classified as aromatic ether , methyl ketone .
The molecule N[C@@H](Cc1nc(I)[nH]c1I)C(O)=O N[C@@H](Cc1nc(I)[nH]c1I)C(O)=O is an iodoamino acid that is L-histidine in which the imidazole ring is substituted by iodine at positions  2- and 5(4). It is also related to or classified as iodoamino acid , non-proteinogenic L-alpha-amino acid , L-histidine derivative .
The molecule C1=CC(=CC=C1CC2(C(=NC[C@@H]([C@@H]([C@@H](CO)O)O)O)NC(=O)NC2=O)N)O is a member of the class of pyrimidones that is 5,6-diamino-5-[(4-hydroxyphenyl)methyl]pyrimidine-2,4-dione in which the imino hydrogen at position 6 is replaced by a D-ribityl group. It is a pyrimidone, a member of phenols and a primary amino compound. It derives from a ribitol. It is a conjugate base of a 5-amino-5-(4-hydroxybenzyl)-6-(D-ribitylimino)-5,6-dihydrouracil(1+).
The molecule C1(C(C[C@H](C(=O)[O-])[NH3+])=O)=CC=CC(=C1N)O C1(C(C[C@H](C(=O)[O-])[NH3+])=O)=CC=CC(=C1N)O is zwitterionic form of 3-hydroxy-D-kynurenine arising from transfer of a proton from the carboxy to the amino group; major microspecies at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule [C@H](NC([C@H](CC([O-])=O)[NH3+])=O)(CCCNC(N)=[NH2+])C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N1[C@@H](CCC1)C(N[C@@H](CC2=CC=CC=C2)C(N[C@@H](CC3=CNC=N3)C([O-])=O)=O)=O)=O)CC4=CN=CN4)=O)[C@H](CC)C)=O)CC=5C=CC(=CC5)O)=O)C(C)C)=O [C@H](NC([C@H](CC([O-])=O)[NH3+])=O)(CCCNC(N)=[NH2+])C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N1[C@@H](CCC1)C(N[C@@H](CC2=CC=CC=C2)C(N[C@@H](CC3=CNC=N3)C([O-])=O)=O)=O)=O)CC4=CN=CN4)=O)[C@H](CC)C)=O)CC=5C=CC(=CC5)O)=O)C(C)C)=O is A peptide zwitterion that is the dizwitterionic form of angiotensin (1-9) having both carboxy groups deprotonated and the aspartyl amino group and arginine side-chain protonated. It is the major species at pH 7.3. It has the role of antihypertensive agent . It has the role of cardioprotective agent . It has the role of human metabolite . It has the role of rat metabolite . It is also related to or classified as peptide zwitterion .
The molecule Oc1c(O)c2nc(cc(C([O-])=O)c2c2[nH]c(cc12)C([O-])=O)C([O-])=O Oc1c(O)c2nc(cc(C([O-])=O)c2c2[nH]c(cc12)C([O-])=O)C([O-])=O is trianionic form of pyrroloquinoline quinol arising from deprotonation of the three carboxy groups. It is a conjugate acid of pyrroloquinoline quinol(4-) .  It is also related to or classified as pyrroloquinoline  . It is also related to or classified as tricarboxylic acid trianion .
The molecule CCCCCCCCCCCCCCCCS(F)(=O)=O CCCCCCCCCCCCCCCCS(F)(=O)=O is hexadecane-1-sulfonyl fluoride. Its functional parent is hexadecane-1-sulfonic acid . It is also related to or classified as acyl fluoride .
The molecule C[C@@H]1CCC2=C([C@H]1C)C3=CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)C is a pentacyclic triterpenoid based on a ursane-type nortriterpene skeleton isolated from the leaves of found in Rosa laevigata. It has a role as a plant metabolite. It is a pentacyclic triterpenoid and a triol.
The molecule O=C1C2=C(O)C=C(OC)C(=C2[C@@H](O)[C@@H]3[C@@H]1CO[C@](C3)(OC)C)O O=C1C2=C(O)C=C(OC)C(=C2[C@@H](O)[C@@H]3[C@@H]1CO[C@](C3)(OC)C)O is 5-hydroxy-3-methoxydihydrofusarubin D. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C1(C(C[C@@H](C(=O)[O-])[NH3+])=O)=CC=C(C(=C1N)O)C C1(C(C[C@@H](C(=O)[O-])[NH3+])=O)=CC=C(C(=C1N)O)C is zwitterionic form of 3-hydroxy-4-methyl-L-kynurenine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. Its functional parent is L-kynurenine zwitterion . Its functional parent is 3-hydroxy-L-kynurenine zwitterion . It is also related to or classified as amino-acid zwitterion .
The molecule CCOC(=O)C1=C(N=C2N(C1C=CC3=CC=CC=C3)C(=O)C(=CC4=CC=C(C=C4)OC(=O)C)S2)C CCOC(=O)C1=C(N=C2N(C1C=CC3=CC=CC=C3)C(=O)C(=CC4=CC=C(C=C4)OC(=O)C)S2)C is 2-[(4-acetyloxyphenyl)methylidene]-7-methyl-3-oxo-5-(2-phenylethenyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule O=C1N2C(CCC2)C(=O)NC1CC(C)C O=C1N2C(CCC2)C(=O)NC1CC(C)C is 3-(2-methylpropyl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C([C@H]([NH3+])C(=O)[O-])CCN(C(=[NH2+])NO)C C([C@H]([NH3+])C(=O)[O-])CCN(C(=[NH2+])NO)C is an L-arginine derivative in which the omega-nitrogen atom carries a hydroxy group and the delta-nitrogen atom carries a methyl group; major species at pH 7.3. Its functional parent is L-argininium(1+) . It is also related to or classified as L-arginine derivative .
The molecule CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2ccccc12 CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2ccccc12 is A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of (3R,5S)-fluvastatin. It is also related to or classified as monocarboxylic acid anion  .