anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C1=CC(=CC=C1C2=C(C(=O)C(=C(C2=O)[O-])C3=CC=C(C=C3)O)O)O is an organic anion that is the conjugate base of atromentin, obtained from the deprotonation of one of the hydroxy groups of the 1,4-benzoquinone moiety. It is the major species at pH 7.3. It is a conjugate base of an atromentin.
The molecule O1C=2C(\C=C\C(O)(C)C)=C(OC)C=CC2C(=O)C=C1C3=CC=CC=C3 O1C=2C(\C=C\C(O)(C)C)=C(OC)C=CC2C(=O)C=C1C3=CC=CC=C3 is Lanceolatin A. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule N[13C](N)=O N[13C](N)=O is A (13)C-modified compound that is urea in which the carbon is present as its (13)C isotope. It is also related to or classified as (13)C-modified compound , one-carbon compound .
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)S(=O)(=O)C3=C(ON=C3C)C 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)S(=O)(=O)C3=C(ON=C3C)C is N-[[(3S,9S,10S)-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,3,5-trimethyl-4-isoxazolesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCC/C=C/C(=O)O)O)OC(=O)C2=CNC3=CC=CC=C32 is a 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (2E)-11-hydroxyundec-2-enoic acid. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is a 4-O-(1H-indol-3-ylcarbonyl)ascaroside, an alpha,beta-unsaturated monocarboxylic acid and an omega-hydroxy fatty acid ascaroside. It derives from a (2E)-11-hydroxyundec-2-enoic acid and an oscr#17.
The molecule [K] [K] is potassium atom. It has the role of macronutrient . It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as alkali metal atom .
The molecule [H]C(CCCCCCCC(O)=O)=CC([H])=CC([H])=CCCCC [H]C(CCCCCCCC(O)=O)=CC([H])=CC([H])=CCCCC is any octadecatrienoic acid with three fully-conjugated double bonds at positions 9, 11 and 13. It is also related to or classified as conjugated linolenic acid .
The molecule OCC#CCO OCC#CCO is A butynediol that is but-2-yne substituted by hydroxy groups at positions 1 and 4. It is also related to or classified as butynediol .
The molecule CCCCCCCC/C=C\\CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O is a 3-oxo-fatty acyl CoA(4-) obtained by deprotonation of phosphate and diphosphate OH groups of (5Z)-3-oxotetradecenoyl-CoA; major species at pH 7.3. It is a 3-oxo-fatty acyl-CoA(4-), a long-chain fatty acyl-CoA(4-) and a monounsaturated fatty acyl-CoA(4-). It is a conjugate base of a (5Z)-3-oxotetradecenoyl-CoA.
The molecule C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3(C(C[C@@]2(C[C@@H](C1)O)[H])=O)[H])(CC[C@]4([H])[C@@H](CCC(NCC([O-])=O)=O)C)[H])C)O)[H])C C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3(C(C[C@@]2(C[C@@H](C1)O)[H])=O)[H])(CC[C@]4([H])[C@@H](CCC(NCC([O-])=O)=O)C)[H])C)O)[H])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 also related to or classified as N-acylglycinate  . It is also related to or classified as cholanic acid conjugate anion .
The molecule CC(C)C(=O)OP([O-])([O-])=O CC(C)C(=O)OP([O-])([O-])=O is dianion of 2-methylpropanoyl phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule O=C1O[C@@]([C@H](O)CCCCCC)(C[C@@H]2C(=O)O[C@@H]3[C@H]2C(=O)O[C@@H]3CCCCCC)C(=C1C)C(=O)OC O=C1O[C@@]([C@H](O)CCCCCC)(C[C@@H]2C(=O)O[C@@H]3[C@H]2C(=O)O[C@@H]3CCCCCC)C(=C1C)C(=O)OC is Sporochartine F. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule [C@@H]1(OC([C@H]([C@@H]1O)O)O)CO[C@H]2O[C@@H]([C@H]([C@@H]2O)O[C@H]3O[C@@H]([C@H]([C@@H]3O[C@@H]4O[C@@H]([C@H]([C@@H]4O)O)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)CO)CO[C@H]6O[C@@H]([C@H]([C@@H]6O[C@@H]7O[C@@H]([C@H]([C@@H]7O)O)CO)O)CO [C@@H]1(OC([C@H]([C@@H]1O)O)O)CO[C@H]2O[C@@H]([C@H]([C@@H]2O)O[C@H]3O[C@@H]([C@H]([C@@H]3O[C@@H]4O[C@@H]([C@H]([C@@H]4O)O)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)CO)CO[C@H]6O[C@@H]([C@H]([C@@H]6O[C@@H]7O[C@@H]([C@H]([C@@H]7O)O)CO)O)CO is A branched heptasaccharide derivative comprising one mannopyranose and six D-arabinofuranose units, in an assembly consisting of two arabinose residues linked alpha(1->5), with alpha-mannosyl-(1->5)-beta-arabinosyl-(1->2)-alpha-arabinosyl and beta-arabinosyl-(1->2)-alpha-arabinosyl units linked to respectively the 3- and 5-positions of the arabinose residue distal from the reducing-end residue. It is also related to or classified as heptasaccharide .
The molecule CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)O[C@H](CCCCO1)C)[C@H](C)CO)C CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)O[C@H](CCCCO1)C)[C@H](C)CO)C is 4-fluoro-N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC[C@H](C)C1=C(N2C=C(N=C(C2=N1)CCC[NH+]=C(N)N)C3=CNC4=CC=CC=C43)O is conjugate acid of Cypridina luciferin; major species at pH 7.3. It is a conjugate acid of a Cypridina luciferin.
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[C@@H](C)CO)C)CN(C)C C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[C@@H](C)CO)C)CN(C)C is 1-[(3R,9R,10R)-9-[(dimethylamino)methyl]-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-16-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)OC)OC2=O)O is a gibberellin ester that is the methyl ester of gibberellin A3. It is a gibberellin ester, a lactone, a methyl ester, a secondary alcohol, a tertiary alcohol and an organic heteropentacyclic compound. It derives from a gibberellin A3.
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 is A tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2, 5, 7 and 8 and a farnesyl chain at position 2. It has been found in palm oil derived from Elaeis guineensis. It has the role of ferroptosis inhibitor . It has the role of neuroprotective agent . It has the role of plant metabolite . It has the role of human metabolite .  It is also related to or classified as tocotrienol  . It is also related to or classified as vitamin E .
The molecule OC[C@H]1O[C@@H](Oc2cc3C[C@@H](C([O-])=O)\[N+](=C/C=C4\C[C@H](NC(=C4)C(O)=O)C(O)=O)c3cc2O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](Oc2cc3C[C@@H](C([O-])=O)\[N+](=C/C=C4\C[C@H](NC(=C4)C(O)=O)C(O)=O)c3cc2O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@@H](O)[C@@H]1O is A disaccharide derivative that is betanidin in which a beta-D-glucuronosyl-(1->2)-beta-D-glucosyl moiety is attached at position 5. It has the role of biological pigment . It has the role of plant metabolite . Its functional parent is betanidin . It is also related to or classified as indoles , tetrahydropyridine , disaccharide derivative , olefinic compound .
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C[C@@H]([C@@]2(C[C@@H](C1)O)[H])O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)[H])(CC[C@@]4([C@@H](CCC(=O)O)C)[H])[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C[C@@H]([C@@]2(C[C@@H](C1)O)[H])O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)[H])(CC[C@@]4([C@@H](CCC(=O)O)C)[H])[H])C)[H])C is A steroid glucosiduronic acid that is hyodeoxycholic acid having a single beta-D-glucuronic acid residue attached at position 6. It has the role of human urinary metabolite . Its functional parent is hyodeoxycholic acid . It is a conjugate acid of hyodeoxycholate 6-O-(beta-D-glucuronide)(2-) . It is also related to or classified as beta-D-glucosiduronic acid , steroid glucosiduronic acid , dicarboxylic acid .
The molecule C1=C(C=[N+](C=C1C(=O)OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)([O-])[O-])O)O)C(=O)[O-] is an organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate OH groups of 5-carboxy-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium-3-carbonyl adenylate; major species at pH 7.3. It is an organophosphate oxoanion and a monocarboxylic acid anion. It is a conjugate base of a 5-carboxy-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium-3-carbonyl adenylate.
The molecule O=C1C2=C(C(=O)C3=C1[C@@]4(O)[C@](O)(CC(C)=C[C@H]4OC5OC(C(O)C(C5)OC)C)[C@H]([C@@H]3O)OC(=O)C)C(O)=C(C6OC(C(O)C(C6)OC7OC(C(OC8OC(C(O)C(C8)OC9OC(C(O)C(C9)OC)C)C)C(C7)O)C)C)C=C2 O=C1C2=C(C(=O)C3=C1[C@@]4(O)[C@](O)(CC(C)=C[C@H]4OC5OC(C(O)C(C5)OC)C)[C@H]([C@@H]3O)OC(=O)C)C(O)=C(C6OC(C(O)C(C6)OC7OC(C(OC8OC(C(O)C(C8)OC9OC(C(O)C(C9)OC)C)C)C(C7)O)C)C)C=C2 is Chattamycin B.  It is also related to or classified as glycoside  . It is also related to or classified as anthraquinone .
The molecule CCCN(C)C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)O[C@@H](CCCCO1)C)[C@H](C)CO)C CCCN(C)C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)O[C@@H](CCCCO1)C)[C@H](C)CO)C is 4-chloro-N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule Nc1ccc(cc1[Hg])S(N)(=O)=O Nc1ccc(cc1[Hg])S(N)(=O)=O is 3-mercuri-4-aminobenzenesulfonamide.  It is also related to or classified as sulfonamide  . It is also related to or classified as arylmercury compound .
The molecule OC[C@H]1O[C@@H](OC(C#N)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](OC(C#N)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O is prunasin. Its functional parent is mandelonitrile . It is also related to or classified as beta-D-glucoside  .   It is also related to or classified as nitrile  . It is also related to or classified as cyanogenic glycoside , monosaccharide derivative .
The molecule [C@@H]1(OC([C@H]([C@@H]1O)O)O)CO[C@H]2O[C@@H]([C@H]([C@@H]2O)O[C@H]3O[C@@H]([C@H]([C@@H]3O[C@@H]4O[C@@H]([C@H]([C@@H]4O)O)CO)O)CO)CO[C@H]5O[C@@H]([C@H]([C@@H]5O[C@@H]6O[C@@H]([C@H]([C@@H]6O)O)CO[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)CO [C@@H]1(OC([C@H]([C@@H]1O)O)O)CO[C@H]2O[C@@H]([C@H]([C@@H]2O)O[C@H]3O[C@@H]([C@H]([C@@H]3O[C@@H]4O[C@@H]([C@H]([C@@H]4O)O)CO)O)CO)CO[C@H]5O[C@@H]([C@H]([C@@H]5O[C@@H]6O[C@@H]([C@H]([C@@H]6O)O)CO[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)CO is A branched heptasaccharide derivative comprising one mannopyranose and six D-arabinofuranose units, in an assembly consisting of two arabinose residues linked alpha(1->5), with beta-arabinosyl-(1->2)-alpha-arabinosyl and alpha-mannosyl-(1->5)-beta-arabinosyl-(1->2)-alpha-arabinosyl units linked to respectively the 3- and 5-positions of the arabinose residue distal from the reducing-end residue. It is also related to or classified as heptasaccharide .
The molecule CCCCC[C@H]1[C@H](O1)C(/C=C\\C/C=C\\C/C=C\\CCCC(=O)O)O is a 13-hydroxy-14,15-epoxy-(5Z,8Z,11Z)-icosatrienoic acid in which the chiral centres at positions 14 and 15 have R- and S-configuration respectively while that at position 13 remains unspecified. It has a role as a human metabolite. It is a conjugate acid of a 13-hydroxy-(14R,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoate(1-).
The molecule C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)C is a member of the class of phytosterols that is 5beta-cholestane carrying a hydroxy substituent at the 3beta-position. It has a role as a plant metabolite, a human urinary metabolite and an environmental contaminant. It is a cholestanoid, a 3-hydroxy steroid and a member of phytosterols. It derives from a hydride of a 5beta-cholestane.
The molecule C1(=O)C=CC(C=C1)[NH3+] C1(=O)C=CC(C=C1)[NH3+] is major microspecies at pH 7.3.  It is also related to or classified as cyclohexadiene  . It is also related to or classified as ammonium ion derivative .
The molecule OC(=O)C(=O)Nc1ccc(cc1)C(O)=O OC(=O)C(=O)Nc1ccc(cc1)C(O)=O is 4-(oxaloamino)benzoic acid. Its functional parent is 4-aminobenzoic acid . It is also related to or classified as (oxaloamino)benzoic acid .
The molecule S([C@@]1(N(C(=O)[C@@](SC)(CO)NC1=O)C)CC2=CC=CC=C2)C S([C@@]1(N(C(=O)[C@@](SC)(CO)NC1=O)C)CC2=CC=CC=C2)C is Bisdethiodi(methylthio)-1-demethylhyalodendrin. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [O-]P([O-])(=O)O[C@@H]1[C@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1OP([O-])([O-])=O [O-]P([O-])(=O)O[C@@H]1[C@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1OP([O-])([O-])=O is the organophosphate oxoanion formed by loss of 2 protons from each of the phosphate groups of 1D-myo-inositol. It has the role of cofactor . It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as inositol phosphate oxoanion .
The molecule [H]C(=O)\C=C\[C@H](O)CCCCC [H]C(=O)\C=C\[C@H](O)CCCCC is the R stereoisomer of (E)-4-hydroxynon-2-enal. It is also related to or classified as (E)-4-hydroxynon-2-enal  .
The molecule C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3(C(C[C@@]2(C[C@@H](C1)O)[H])=O)[H])(CC[C@@]4([C@@H](CCC(NCCS([O-])(=O)=O)=O)C)[H])[H])C)O)[H])C C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3(C(C[C@@]2(C[C@@H](C1)O)[H])=O)[H])(CC[C@@]4([C@@H](CCC(NCCS([O-])(=O)=O)=O)C)[H])[H])C)O)[H])C is A cholanic acid conjugate anion that is the conjugate base of 7-oxotaurodeoxycholic acid, obtained by deprotonation of the sulfonic acid group; major species at pH 7.3.  It is also related to or classified as organosulfonate oxoanion  . It is also related to or classified as cholanic acid conjugate anion .
The molecule C1=C(C(=O)NC(=O)N1)CO is a primary alcohol that is uracil bearing a hydroxymethyl substituent at the 5-position. It has a role as a human metabolite. It is a primary alcohol and a pyrimidone. It derives from a uracil.
The molecule NC1=NC2=C(N=CN2[C@@H]2C[C@H](COP([O-])(=O)OP([O-])([O-])=O)C=C2)C(=O)N1 NC1=NC2=C(N=CN2[C@@H]2C[C@H](COP([O-])(=O)OP([O-])([O-])=O)C=C2)C(=O)N1 is an organophosphate oxoanion that is the trianion of carbovir diphosphate, arising from deprotonation of the diphosphate OH groups; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule CC(=O)O[Hg]c1cc(ccc1N)S(N)(=O)=O CC(=O)O[Hg]c1cc(ccc1N)S(N)(=O)=O is 3-acetoxymercuri-4-aminobenzenesulfonamide.  It is also related to or classified as sulfonamide  . It is also related to or classified as arylmercury compound .
The molecule O(C([H])([H])[H])[H] O(C([H])([H])[H])[H] is methanol-d1. It has the role of NMR solvent .  It is also related to or classified as primary alcohol  . It is also related to or classified as volatile organic compound , alkyl alcohol , one-carbon compound , deuterated compound .
The molecule O1[C@@H](CC(=O)C2=C1C(=C(OC)C=C2O)/C=C/C(C)=C)C3=CC=CC=C3 O1[C@@H](CC(=O)C2=C1C(=C(OC)C=C2O)/C=C/C(C)=C)C3=CC=CC=C3 is Tephroleocarpin B. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule O([C@H]1O[C@@H]([C@H]([C@@H]1O)O)CO[C@H]2O[C@@H]([C@H]([C@@H]2O)O)CO[C@H]3O[C@@H]([C@H]([C@@H]3O)O[C@H]4O[C@@H]([C@H]([C@@H]4O)O)CO[C@H]5O[C@@H]([C@H]([C@@H]5O)O)CO[C@H]6O[C@@H]([C@H]([C@@H]6O)O)CO[C@H]7O[C@@H]([C@H]([C@@H]7O)O[C@H]8O[C@@H]([C@H]([C@@H]8O[C@@H]9O[C@@H]([C@H]([C@@H]9O)O)CO)O)CO)CO[C@H]%10O[C@@H]([C@H]([C@@H]%10O[C@@H]%11O[C@@H]([C@H]([C@@H]%11O)O)CO)O)CO)CO[C@H]%12O[C@@H]([C@H]([C@@H]%12O)O)CO[C@H]%13O[C@@H]([C@H]([C@@H]%13O)O)CO[C@H]%14O[C@@H]([C@H]([C@@H]%14O)O)CO[C@H]%15O[C@@H]([C@H]([C@@H]%15O)O[C@H]%16O[C@@H]([C@H]([C@@H]%16O[C@@H]%17O[C@@H]([C@H]([C@@H]%17O)O)CO)O)CO)CO[C@H]%18O[C@@H]([C@H]([C@@H]%18O[C@@H]%19O[C@@H]([C@H]([C@@H]%19O)O)CO)O)CO)C[C@H]%20O[C@@H]([C@H]([C@@H]%20O)O)OC[C@H]%21O[C@@H]([C@H]([C@@H]%21O)O)OC[C@H]%22OC([C@H]([C@@H]%22O)O)O O([C@H]1O[C@@H]([C@H]([C@@H]1O)O)CO[C@H]2O[C@@H]([C@H]([C@@H]2O)O)CO[C@H]3O[C@@H]([C@H]([C@@H]3O)O[C@H]4O[C@@H]([C@H]([C@@H]4O)O)CO[C@H]5O[C@@H]([C@H]([C@@H]5O)O)CO[C@H]6O[C@@H]([C@H]([C@@H]6O)O)CO[C@H]7O[C@@H]([C@H]([C@@H]7O)O[C@H]8O[C@@H]([C@H]([C@@H]8O[C@@H]9O[C@@H]([C@H]([C@@H]9O)O)CO)O)CO)CO[C@H]%10O[C@@H]([C@H]([C@@H]%10O[C@@H]%11O[C@@H]([C@H]([C@@H]%11O)O)CO)O)CO)CO[C@H]%12O[C@@H]([C@H]([C@@H]%12O)O)CO[C@H]%13O[C@@H]([C@H]([C@@H]%13O)O)CO[C@H]%14O[C@@H]([C@H]([C@@H]%14O)O)CO[C@H]%15O[C@@H]([C@H]([C@@H]%15O)O[C@H]%16O[C@@H]([C@H]([C@@H]%16O[C@@H]%17O[C@@H]([C@H]([C@@H]%17O)O)CO)O)CO)CO[C@H]%18O[C@@H]([C@H]([C@@H]%18O[C@@H]%19O[C@@H]([C@H]([C@@H]%19O)O)CO)O)CO)C[C@H]%20O[C@@H]([C@H]([C@@H]%20O)O)OC[C@H]%21O[C@@H]([C@H]([C@@H]%21O)O)OC[C@H]%22OC([C@H]([C@@H]%22O)O)O is an oligosaccharide (docosasaccharide) consisting of a linear sequence of six D-arabinofuranose residues all linked alpha(1->5), to the residue distal from the reducing end are added via alpha(1->3) and alpha(1->5) linkages two branched sequences of beta-D-arabinofuranosyl-(1->2)-alpha-D-arabinofuranosyl-(1->3)-[beta-D-arabinofuranosyl-(1->2)-alpha-D-arabinofuranosyl-(1->5)]-alpha-D-arabinofuranosyl-(1->5)-alpha-D-arabinofuranosyl-(1->5)-alpha-D-arabinofuranosyl-(1->5)-alpha-D-arabinofuranosyl. It is also related to or classified as oligosaccharide  .
The molecule C1[C@H](OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)C5=CC(=C(C=C5)O)O is a monosaccharide derivative that is eriodictyol attached to a (6''-O-galloyl)-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has a role as a plant metabolite. It is a member of 3'-hydroxyflavanones, a trihydroxyflavanone, a gallate ester, a monosaccharide derivative, a beta-D-glucoside and a member of 4'-hydroxyflavanones. It derives from an eriodictyol.
The molecule O([C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)CCCCCN O([C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)CCCCCN is A glycoside that is alpha-L-rhamnose in which the hydrogen of the anomeric hydroxy group is replaced by a 5-aminopentyl group. It is also related to or classified as glycoside  . It is also related to or classified as monosaccharide derivative .
The molecule C[C@H]\\1C/C=C/[C@H]2C3[C@](O3)([C@H]([C@@H]4[C@@]2(C(=O)/C=C/C(=O)[C@@H](/C(=C1)/C)OC(=O)C)C(=O)N[C@H]4CC5=CNC6=CC=CC=C65)C)C is a cytochalasan alkaloid that is the acetyl derivative of chaetoglobosin A. It has been isolated from Chaetomium globosum and Chaetomium brasiliense. It has a role as a Chaetomium metabolite. It is an epoxide, a cytochalasan alkaloid, a member of indoles and a macrocycle.
The molecule O(C(=O)[2H])[2H] O(C(=O)[2H])[2H] is formic acid-d2. It has the role of NMR solvent . It is also related to or classified as monocarboxylic acid , deuterated compound .
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C(C[C@@]2(C[C@@H](C1)O)[H])=O)[H])(CC[C@@]4([C@@H](CCC(NCC([O-])=O)=O)C)[H])[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C(C[C@@]2(C[C@@H](C1)O)[H])=O)[H])(CC[C@@]4([C@@H](CCC(NCC([O-])=O)=O)C)[H])[H])C)[H])C is A cholanic acid conjugate anion that is the conjugate base of 7-oxoglycolithocholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.  It is also related to or classified as N-acylglycinate  . It is also related to or classified as cholanic acid conjugate anion .
The molecule [C@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OCCCCCN [C@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OCCCCCN is A disaccharide derivative consisting of an alpha-D-glucosyl residue glycosidically linked to a 5-aminopentyl group and which carries at O-2 a further alpha-D-glucosyl residue. It is also related to or classified as glycoside  . It is also related to or classified as disaccharide derivative .
The molecule C1CO1 is a saturated organic heteromonocyclic parent that is a three-membered heterocycle of two carbon atoms and one oxygen atom. It has a role as a mouse metabolite, an allergen and a mutagen. It is a saturated organic heteromonocyclic parent, an oxacycle and a gas molecular entity.
The molecule O=C1C2=C(OC(=C1)C3=CC=C(OC)C=C3)O[C@@]4(CC[C@@]5([C@]6([C@H]4C2)CO[C@@](C5(C)C)(OC)CC6)O)C O=C1C2=C(OC(=C1)C3=CC=C(OC)C=C3)O[C@@]4(CC[C@@]5([C@]6([C@H]4C2)CO[C@@](C5(C)C)(OC)CC6)O)C is Yaminterritrem C. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O1C(C=CC2=C1C(=C(OC)C=C2O)C(=O)/C=C/C3=CC=CC=C3)(C)C O1C(C=CC2=C1C(=C(OC)C=C2O)C(=O)/C=C/C3=CC=CC=C3)(C)C is Cedreprenone. It has the role of precocenes . It is also related to or classified as chromenes .
The molecule [H]C(CC([H])=C(C)C=C)=C(C)CCC=C(C)C [H]C(CC([H])=C(C)C=C)=C(C)CCC=C(C)C is A farnesene that is 1,3,6,10-tetraene substituted by methyl groups at positions 3, 7 and 11 respectively. It is also related to or classified as farnesene .
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(C=C(O)C=C2O)/C=C/C3=CC=C(O)C=C3)CO O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(C=C(O)C=C2O)/C=C/C3=CC=C(O)C=C3)CO is A stilbenoid that is trans-stilbene which has been substituted by hydroxy groups at positions 2, 3, 5, and 4', and in which the hydroxy group at positon 2 has then been converted to the corresponding the beta-D-glucoside. It has the role of antioxidant . It has the role of platelet aggregation inhibitor . It has the role of cyclooxygenase 2 inhibitor . It has the role of anti-inflammatory agent . It has the role of apoptosis inhibitor . It has the role of cardioprotective agent . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as stilbenoid , resorcinols .
The molecule CCCCCC(=O)/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CC(=O)CCCCC(=O)O)O)O is a prostaglandin Falpha that is prostaglandin F1alpha bearing keto substituents at positions 6 and 15. It has a role as a metabolite. It derives from a prostaglandin F1alpha.
The molecule NOP(O)(O)=O NOP(O)(O)=O is O-phosphonohydroxylamine. Its functional parent is hydroxylamine . It is also related to or classified as phosphoric acid derivative .
The molecule [H][C@]12[C@@H](C)C(SC3Cn4cnc[n+]4C3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C([O-])=O [H][C@]12[C@@H](C)C(SC3Cn4cnc[n+]4C3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C([O-])=O is A carbapenem antibiotic in which the azetidine and pyrroline rings carry 1-hydroxymethyl and pyrazolo[1,2-a][1,2,4]triazolium-6-ylthio substituents respectively. It has the role of antibacterial drug . It is also related to or classified as organic sulfide  . It is also related to or classified as carbapenems  . It is also related to or classified as pyrazolotriazole  .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC is a 1,2-diacyl-sn-glycero-3-phosphocholine in which the two acyl substituents at positions 1 and 2 are specified as palmitoyl and valeroyl respectively. It derives from a hexadecanoic acid and a valeric acid.
The molecule C1(NC(=O)CN1N=C(C=2OC(C=3C=CC([N+]([O-])=O)=CC3)=CC2)[H])=O C1(NC(=O)CN1N=C(C=2OC(C=3C=CC([N+]([O-])=O)=CC3)=CC2)[H])=O is the hydrazone resulting from the formal condensation of 5-(4-nitrophenyl)furfural with 1-aminohydantoin. A ryanodine receptor antagonist used for the relief of chronic severe spasticity and malignant hyperthermia. It has the role of ryanodine receptor antagonist . It has the role of muscle relaxant . It has the role of neuroprotective agent . It is a conjugate acid of dantrolene(1-) .  It is also related to or classified as hydrazone  . It is also related to or classified as imidazolidine-2,4-dione .