anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H][C@]12C[C@@H]3O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)NC2=C(O)C(=CC=C2O)C([O-])=O)[C@]31[H] [H][C@]12C[C@@H]3O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)NC2=C(O)C(=CC=C2O)C([O-])=O)[C@]31[H] is A monocarboxylic acid anion that is the conjugate base of platensimycin resulting from the deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as dihydroxybenzoate  . It is also related to or classified as monocarboxylic acid anion  .
The molecule C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)C(=O)[C@H]1O C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)C(=O)[C@H]1O is A dTDP-sugar having 6-deoxy-alpha-D-galact-3-ulose (3-dehydro-6-deoxy-alpha-D-xylo-hexose) as the sugar component. It is a conjugate acid of dTDP-3-dehydro-6-deoxy-alpha-D-galactose(2-) . It is also related to or classified as dTDP-sugar  . It is also related to or classified as secondary alpha-hydroxy ketone  .
The molecule O([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C([O-])=O)O)OS([O-])(=O)=O)O)C2=CC3=C([C@@]4([C@]([C@]5([C@@]([C@@H](OS([O-])(=O)=O)CC5)(CC4)C)[H])(CC3)[H])[H])C=C2 O([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C([O-])=O)O)OS([O-])(=O)=O)O)C2=CC3=C([C@@]4([C@]([C@]5([C@@]([C@@H](OS([O-])(=O)=O)CC5)(CC4)C)[H])(CC3)[H])[H])C=C2 is A steroid glucuronide anion that is the conjugate base of 17beta-estradiol 3-O-(3-sulfo-beta-D-glucuronide) 17-sulfate arising from deprotonation of the carboxylic and sulfate groups; major species at pH 7.3. It is also related to or classified as steroid glucosiduronic acid anion .
The molecule CC\C=C/C[C@H](OO)\C=C\C=C/CCCCCCCC(O)=O CC\C=C/C[C@H](OO)\C=C\C=C/CCCCCCCC(O)=O is A lipid hydroperoxide, obtained by the formal substitution of a hydrogen at position 9 of (9Z,11E,15Z)-octadeca-9,11,15-trienoic acid by a hydroperoxy group (the 13S-stereoisomer). Biochemically, it is an 18-C rearrangement and primary peroxidation product of alpha-linolenic acid, an intermediate in prostaglandin and leukotriene metabolism, and the substrate of the lyase enzyme hydroperoxide dehydratase. Its functional parent is (9Z,11E,15Z)-octadeca-9,11,15-trienoic acid . It is a conjugate acid of (9Z,11E,13S,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoate . It is also related to or classified as hydroperoxyoctadecatrienoic acid , trienoic fatty acid .
The molecule O([C@@H]([C@@H](OC(=O)C[C@@H](CC(O)=O)C(O)=O)C[C@H](CCCCCCCC[C@H](O)C(=O)C)C)[C@@H](CCCC)C)C(=O)C[C@@H](CC(O)=O)C(O)=O O([C@@H]([C@@H](OC(=O)C[C@@H](CC(O)=O)C(O)=O)C[C@H](CCCCCCCC[C@H](O)C(=O)C)C)[C@@H](CCCC)C)C(=O)C[C@@H](CC(O)=O)C(O)=O is Fumonisin py4. Its functional parent is pentacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule CCCCCCCCCC=O is a saturated fatty aldehyde formally arising from reduction of the carboxy group of capric acid (decanoic acid). It has a role as an antifungal agent, a fragrance and a plant metabolite. It is a saturated fatty aldehyde, a n-alkanal and a medium-chain fatty aldehyde.
The molecule O[C@H]1C=C[C@](CC(=O)C(O)=O)(C=C1)C(O)=O O[C@H]1C=C[C@](CC(=O)C(O)=O)(C=C1)C(O)=O is A prephenic acid having (1s,4s)-cis-configuration. It is a conjugate acid of (1s,4s)-prephenate(2-) . It is also related to or classified as prephenic acid  .
The molecule O[C@H]1CO[C@H](O)[C@@H](O)[C@@H]1O O[C@H]1CO[C@H](O)[C@@H](O)[C@@H]1O is A L-xylopyranose with a beta-configuration at the anomeric position. It is also related to or classified as L-xylopyranose  .
The molecule O([C@H]([C@H](OC(=O)C[C@@H](CC(O)=O)C(O)=O)[C@@H](CCCC)C)C[C@H](CCCCCC[C@@H](O)C[C@H](O)C(=O)C)C)C(=O)C[C@@H](CC(O)=O)C(O)=O O([C@H]([C@H](OC(=O)C[C@@H](CC(O)=O)C(O)=O)[C@@H](CCCC)C)C[C@H](CCCCCC[C@@H](O)C[C@H](O)C(=O)C)C)C(=O)C[C@@H](CC(O)=O)C(O)=O is Fumonisin py2. Its functional parent is pentacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule C1[C@H]2[C@@H]([C@H](O[C@@H]1C2)/C=C/[C@H](CCC(CC)O)O)C/C=C\CCCC([O-])=O C1[C@H]2[C@@H]([C@H](O[C@@H]1C2)/C=C/[C@H](CCC(CC)O)O)C/C=C\CCCC([O-])=O is A thromboxane anion that is the conjugate base of 18-hydroxycarbocyclic thromboxane A2, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is carbocyclic thromboxane A2(1-) . It is also related to or classified as hydroxy fatty acid anion , thromboxane anion .
The molecule [C@@H]1(C2=CC=CC=C2)[C@@H]([NH3+])C1 [C@@H]1(C2=CC=CC=C2)[C@@H]([NH3+])C1 is A primary ammonium ion obtained by protonation of the primary amino function of (1S,2R)-tranylcypromine. It is a conjugate acid of (1S,2R)-tranylcypromine . It is also related to or classified as primary ammonium ion  .
The molecule CC\C=C/CC\C=C\C=C/CCCCCCCC(O)=O CC\C=C/CC\C=C\C=C/CCCCCCCC(O)=O is A 9,11,15-octadecatrienoic acid in which the configuration of the double bonds at positions 9 and 15 is Z, while that of the double bond at position 11 is E. It is also related to or classified as 9,11,15-octadecatrienoic acid  .
The molecule N[C@@H](CCNC(=O)C(O)=O)C(O)=O N[C@@H](CCNC(=O)C(O)=O)C(O)=O is A  monocarboxylic acid amide obtained by the formal condensation of the amino group at position 4 of L-2,4-diaminobutyric acid with the carboxy group of oxalic acid. It has the role of metabolite . Its functional parent is oxalic acid . Its functional parent is L-2,4-diaminobutyric acid .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as alpha,omega-dicarboxylic acid .
The molecule O=C1C2=C(N(C3=C1C=CC=C3O)C)C=C(O)C=C2O O=C1C2=C(N(C3=C1C=CC=C3O)C)C=C(O)C=C2O is 1,3,5-Trihydroxy-10-methylacridone. Its functional parent is acridone . It is also related to or classified as acridines .
The molecule C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O is a proanthocyanidin consisting of two molecules of (-)-epicatechin joined by a (4alpha->8)-linkage. It has a role as a metabolite. It is a hydroxyflavan, a proanthocyanidin, a polyphenol and a biflavonoid. It derives from a (-)-epicatechin.
The molecule C1(O)=C(C)[NH+]=CC(CO)=C1C([H])=O C1(O)=C(C)[NH+]=CC(CO)=C1C([H])=O is A pyridinium ion obtained by protonation of the ring nitrogen of pyridoxal. It is a conjugate acid of pyridoxal . It is also related to or classified as vitamin B6 , pyridinium ion .
The molecule C1[C@H]2[C@@H]([C@H](O[C@@H]1C2)/C=C/[C@H](CCCC(C)O)O)C/C=C\CCCC(=O)[O-] C1[C@H]2[C@@H]([C@H](O[C@@H]1C2)/C=C/[C@H](CCCC(C)O)O)C/C=C\CCCC(=O)[O-] is A thromboxane anion that is the conjugate base of 19-hydroxycarbocyclic thromboxane A2, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is carbocyclic thromboxane A2(1-) .  It is also related to or classified as (omega-1)-hydroxy fatty acid anion  . It is also related to or classified as thromboxane anion .
The molecule CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@H](OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@H](OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C is A macrolide that is erythronolide B having a 2,6-dideoxy-3-O-methyl-alpha-Larabino-hexopyranosyl (alpha-L-oleandrosyl) residue attached at position 3. It has the role of metabolite . Its functional parent is erythronolide B . It is also related to or classified as glycoside  . It is also related to or classified as macrolide  . It is also related to or classified as monosaccharide derivative .
The molecule CCCCC[C@H](OO)\C=C\C=C/CCCCCCCC([O-])=O CCCCC[C@H](OO)\C=C\C=C/CCCCCCCC([O-])=O is conjugate base of 13(S)-HPODE arising from deprotonation of the carboxylic acid function. It has the role of human metabolite . It is also related to or classified as 13-HPODE(1-)  .
The molecule CC(C)OC(=O)c1ccccc1O CC(C)OC(=O)c1ccccc1O is A benzoate ester that is the isopropyl ester of salicylic acid. Its functional parent is salicylic acid .  It is also related to or classified as phenols  . It is also related to or classified as isopropyl ester  . It is also related to or classified as salicylates , benzoate ester .
The molecule C1=CC=C2C(=C1)C(=C(S2)/C=C\\C(=O)C(=O)O)O is a 4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid in which the acyclic double bond has Z-geometry. It is a conjugate acid of a cis-4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate.
The molecule CC1=C(C=C)\C(NC1=O)=C/c1[nH]c(Cc2[nH]c(\C=C3NC(=O)C(C=C)=C\3C)c(C)c2CCC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)c(CCC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)c1C CC1=C(C=C)\C(NC1=O)=C/c1[nH]c(Cc2[nH]c(\C=C3NC(=O)C(C=C)=C\3C)c(C)c2CCC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)c(CCC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)c1C is conjugate base of bis(beta-glucosyluronic acid)bilirubin. It has the role of human metabolite . It is also related to or classified as dicarboxylic acid dianion  .
The molecule C1[C@H]2[C@@H]([C@H](O[C@@H]1C2)/C=C/[C@H](CCCCC)O)C/C=C\CCCC(=O)[O-] C1[C@H]2[C@@H]([C@H](O[C@@H]1C2)/C=C/[C@H](CCCCC)O)C/C=C\CCCC(=O)[O-] is A thromboxane anion that is the conjugate base of carbocyclic thromboxane A2, obtained by deprotonation of the carboxy group; major species at pH 7.3.   It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as hydroxy fatty acid anion , thromboxane anion , organic molecular entity .
The molecule O([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C([O-])=O)O)O)O)C2=CC3=C([C@@]4([C@]([C@]5([C@@]([C@@H](OS([O-])(=O)=O)CC5)(CC4)C)[H])(CC3)[H])[H])C=C2 O([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C([O-])=O)O)O)O)C2=CC3=C([C@@]4([C@]([C@]5([C@@]([C@@H](OS([O-])(=O)=O)CC5)(CC4)C)[H])(CC3)[H])[H])C=C2 is A steroid glucuronide anion that is the conjugate base of 17beta-estradiol 3-O-(beta-D-glucuronide) 17-sulfate arising from deprotonation of the carboxylic and sulfate groups; major species at pH 7.3. It is also related to or classified as steroid glucosiduronic acid anion .
The molecule [H]C(=O)c1c(CO)cnc(C)c1O [H]C(=O)c1c(CO)cnc(C)c1O is A pyridinecarbaldehyde that is pyridine-4-carbaldehyde bearing methyl, hydroxy and hydroxymethyl substituents at positions 2, 3 and 5 respectively. The 4-carboxyaldehyde form of vitamin B6, it is converted into pyridoxal phosphate, a coenzyme for the synthesis of amino acids, neurotransmitters, sphingolipids and aminolevulinic acid. It has the role of cofactor . It has the role of mouse metabolite . It has the role of Saccharomyces cerevisiae metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is also related to or classified as methylpyridines , vitamin B6 , monohydroxypyridine , pyridinecarbaldehyde , hydroxymethylpyridine .
The molecule C(CCCCCCC/C=C\C=C\[C@@H](CCCCC)OO)(=O)O C(CCCCCCC/C=C\C=C\[C@@H](CCCCC)OO)(=O)O is the (R)-enantiomer of 13-HPODE. Its functional parent is octadeca-9,11-dienoic acid . It is a conjugate acid of 13(R)-HPODE(1-) . It is also related to or classified as 13-HPODE  .
The molecule CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@H](O)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C is A macrolide that is erythronolide B having a 2,6-dideoxy-alpha-L-arabino-hexopyranosyl (alpha-L-olivosyl) residue attached at position 3. It has the role of metabolite . Its functional parent is erythronolide B . It is also related to or classified as glycoside  . It is also related to or classified as macrolide  . It is also related to or classified as monosaccharide derivative .
The molecule C[C@@H]1CC2=C(C=CC(=C2[C@H](N1)C)O)C3=C4C=CC=C(C4=C(C=C3C)OC)O is an isoquinoline alkaloid that is the biaryl resulting from substitution of the hydrogen at the 5-position of (1R,3R)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol by a 5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl group. It is a naphthylisoquinoline alkaloid isolated from the roots and stem barks of Triphyophyllum peltatum and exhibits antimalarial activity. It has a role as an antimalarial, an antiplasmodial drug and a metabolite. It is an isoquinoline alkaloid, an aromatic ether, a member of naphthols, a member of methylnaphthalenes, a methoxynaphthalene, a member of isoquinolines and a biaryl.
The molecule CC(N)(Cc1cnc[nH]1)C(O)=O CC(N)(Cc1cnc[nH]1)C(O)=O is A non-proteinogenic alpha-amino acid that is histidine in which the methyl group is located at the Calpha-position. It has the role of human urinary metabolite . Its functional parent is histidine . It is also related to or classified as non-proteinogenic alpha-amino acid .
The molecule O1[C@H]([C@H](O)[C@H](O)[C@H]1CO)C=2C(=O)N(C(=O)NC2)C O1[C@H]([C@H](O)[C@H](O)[C@H]1CO)C=2C(=O)N(C(=O)NC2)C is 3-Methylpseudouridine. It is also related to or classified as nucleobase-containing molecular entity , carbohydrate derivative .
The molecule CCCCCC(OO)\C=C\C=C/CCCCCCCC([O-])=O CCCCCC(OO)\C=C\C=C/CCCCCCCC([O-])=O is A hydroperoxy fatty acid anion that is the conjugate base of 13-HPODE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It has the role of human xenobiotic metabolite . It is also related to or classified as HPODE(1-) .
The molecule C[C@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@@H]([NH3+])[C@H]1O C[C@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@@H]([NH3+])[C@H]1O is A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups and protonation of the amino group of dTDP-3-amino-3,6-dideoxy-alpha-D-galactopyranose; major microspecies at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule C[C@@H]1C2=NC(=C(O2)C)C(=O)N[C@@H](C3=NC(=CS3)C(=O)N[C@@H](C4=NC(=CS4)C(=O)N1)C(C)C)C is an eighteen-membered homodetic cyclic peptide which is isolated from Oscillatoria sp. and exhibits antimalarial activity against the W2 chloroquine-resistant strain of the malarial parasite, Plasmodium falciparum. It has a role as a metabolite and an antimalarial. It is a homodetic cyclic peptide, a macrocycle, a member of 1,3-oxazoles and a member of 1,3-thiazoles.
The molecule [Cl-].Oc1cc(O)c2cc(O)c([o+]c2c1)-c1cc(O)c(O)c(O)c1 [Cl-].Oc1cc(O)c2cc(O)c([o+]c2c1)-c1cc(O)c(O)c(O)c1 is an anthocyanidin chloride that has delphinidin as the cationic counterpart. It is also related to or classified as anthocyanidin chloride  .
The molecule C[C@H]1O[C@H](O)[C@H](O)[C@@H](N)[C@H]1O C[C@H]1O[C@H](O)[C@H](O)[C@@H](N)[C@H]1O is A hexosamine having a 3-amino-3,6-dideoxy-alpha-D-galactose structure. It is also related to or classified as hexosamine  .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C=C\\C(=O)CCCC(=O)[O-] is a long-chain fatty acid anion that is the conjugate base of 5-oxo-ETE, obtained by deprotonation of the carboxy group. It is a long-chain fatty acid anion, an oxo fatty acid anion, a polyunsaturated fatty acid anion and an oxo-ETE anion. It is a conjugate base of a 5-oxo-ETE.
The molecule C1=2N3C(C=C4[N+]5=C(C=C6N7C8=C(C9=[N+](C(=C1)[C@H]([C@@H]9CCC(OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\C)=O)C)[Mg-2]735)[C@@H](C(C8=C6C)=O)C(=O)OC)C(=C4C)CC)=C(C2C)C=C C1=2N3C(C=C4[N+]5=C(C=C6N7C8=C(C9=[N+](C(=C1)[C@H]([C@@H]9CCC(OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\C)=O)C)[Mg-2]735)[C@@H](C(C8=C6C)=O)C(=O)OC)C(=C4C)CC)=C(C2C)C=C is chlorophyll a' is the C13(2)-epimer of chlorophyll a. It is also related to or classified as chlorophyll  .
The molecule P(OCCNC1OC(C(O)C(O)C1O)CO)(OC[C@H](O)COC(=O)CCCCCCCCCCCCCCC)(O)=O P(OCCNC1OC(C(O)C(O)C1O)CO)(OC[C@H](O)COC(=O)CCCCCCCCCCCCCCC)(O)=O is Hexosyl lpe 16:0. It is also related to or classified as carbohydrate phosphate , monosaccharide derivative .
The molecule [H][C@]1(CCCCN1)C([O-])=O [H][C@]1(CCCCN1)C([O-])=O is A pipecolate that is the conjugate acid of L--pipecolic acid. It has the role of plant metabolite . It has the role of human metabolite . It is also related to or classified as pipecolate  .
The molecule CCCN(CCC)C(=O)[C@H](CCC(O)=O)NC(=O)c1ccccc1 CCCN(CCC)C(=O)[C@H](CCC(O)=O)NC(=O)c1ccccc1 is the (S)-enantiomer of the racemic drug proglumide. It is also related to or classified as N(2)-benzoyl-N,N-dipropyl-alpha-glutamine  . It is also related to or classified as L-glutamic acid derivative .
The molecule [C@@H]1(C2=CC=CC=C2)[C@@H](N)C1.Cl [C@@H]1(C2=CC=CC=C2)[C@@H](N)C1.Cl is A hydrochloride obtained by combining (1S,2R)-tranylcypromine with one equivalent of hydrochloric acid. It is also related to or classified as hydrochloride .
The molecule [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](OC[C@H]5O[C@H](O)[C@H](NC(C)=O)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H]5O)O[C@@H]4CO)[C@@H]3O)O[C@@H]2CO)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](OC[C@H]5O[C@H](O)[C@H](NC(C)=O)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H]5O)O[C@@H]4CO)[C@@H]3O)O[C@@H]2CO)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO is A branched amino heptasaccharide comprising a linear hexasaccharide chain of alpha-N-acetylneuraminyl, beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-galactose, N-acetyl-beta-D-glucosamine and N-acetyl-alpha-D-galactosamine residues linked sequentially (2->3), (1->4), (1->3), (1->4), (1->6), to the N-acetyl-alpha-D-galactosamine residue at the reducing end of which is also linked (1->3) a further beta-D-galactose residue. It is also related to or classified as galactosamine oligosaccharide , glucosamine oligosaccharide , amino heptasaccharide .
The molecule OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2cc(O)ccc2cc2c1nc(=O)[n-]c2=O OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2cc(O)ccc2cc2c1nc(=O)[n-]c2=O is conjugate base of 7,8-didemethyl-8-hydroxy-5-deazariboflavin arising from deprotonation at the 3-position of the pyrimidoquinoline ring system; major species at pH 7.3. It is also related to or classified as organic anion .
The molecule C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@@H](N)[C@H]1O C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@@H](N)[C@H]1O is A dTDP-sugar having 3-amino-3,6-dideoxy-alpha-D-galactopyranose (3-amino-3-deoxy-alpha-D-fucopyranose) as the sugar component. Its functional parent is 3-amino-3,6-dideoxy-alpha-D-galactopyranose . It is a conjugate acid of dTDP-3-amino-3,6-dideoxy-alpha-D-galactopyranose(1-) . It is also related to or classified as dTDP-sugar  .
The molecule CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\\C)/CCC[C@H](C)CC/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/OS(=O)(=O)[O-] is anionic form of a sulfated menaquinone-type compound arising from deprotonation of the sulfate OH; a metabolite from Mycobacterium tuberculosis lipid extracts.
The molecule C1(O)=C(C)N=CC(CO)=C1CN.Cl C1(O)=C(C)N=CC(CO)=C1CN.Cl is A hydrochloride obtained by combining pyridoxamine with one molar equivalent of hydrochloric acid. Used for treatment of diabetic nephropathy. It has the role of iron chelator . It has the role of mouse metabolite . It has the role of Saccharomyces cerevisiae metabolite . It has the role of nephroprotective agent . It has the role of plant metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is also related to or classified as vitamin B6 , hydrochloride .
The molecule C1(COP(OP([O-])([O-])=O)([O-])=O)=C(CC[C@@]2([C@]1(C)CCCC2(C)C)[H])C C1(COP(OP([O-])([O-])=O)([O-])=O)=C(CC[C@@]2([C@]1(C)CCCC2(C)C)[H])C is major microspecies at pH 7.3. It is also related to or classified as octahydronaphthalenes , sesquiterpenoid , organophosphate oxoanion .
The molecule NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O is NADP(+). It has the role of cofactor . It has the role of fundamental metabolite . It is a conjugate acid of NADP zwitterion . It is a conjugate acid of NADP(3-) . It is also related to or classified as NAD(P)(+) , NADP .
The molecule CC[C@H]1OC(=O)\C=C\[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)C[C@@H](C)C(=O)\C=C\C=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1O CC[C@H]1OC(=O)\C=C\[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)C[C@@H](C)C(=O)\C=C\C=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1O is A mycinamicin composed of a 16-membered ring macrolactone core, an N,N-dimethylated deoxysugar desosamine and a 6-deoxysugar 6-deoxyallose. It is also related to or classified as mycinamicin .
The molecule CC1=CC=C(Cl)C=C1C(O)=O CC1=CC=C(Cl)C=C1C(O)=O is A member of the class of chlorobenzoic acids that is benzoic acid in which the ring hydrogens at positions 2 and 5 are replaced by methyl and chloro groups, respectively. It is also related to or classified as chlorobenzoic acid , toluenes , monochlorobenzenes .
The molecule CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCC is a 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) that is the conjugate base of dimyristoyl phosphatidylglycerol; major species at pH 7.3. It is a conjugate base of a ditetradecanoyl phosphatidylglycerol.
The molecule OC[C@H]1O[C@@H](O)[C@@H](F)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](O)[C@@H](F)[C@@H](O)[C@@H]1O is 2-deoxy-2-fluoro-beta-D-mannose. Its functional parent is beta-D-mannose . It is also related to or classified as 2-deoxy-2-fluoro-D-mannopyranose  .
The molecule Cc1ncc(CO)c(C[NH3+])c1O Cc1ncc(CO)c(C[NH3+])c1O is an ammonium ion that is the conjugate acid of pyridoxamine arising from selective protonation of the primary amino group; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It has the role of plant metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is a conjugate acid of pyridoxamine . It is also related to or classified as organic cation , vitamin B6 , ammonium ion derivative .
The molecule O[As]([O-])(=O)c1ccccc1 O[As]([O-])(=O)c1ccccc1 is the organoarsonic acid anion formed by loss of a single proton from the arsonic acid grouping in phenylarsonic acid. It is also related to or classified as organoarsonic acid anion .
The molecule C1[C@]2([C@]3([C@@](C4=C(C=C(O)C=C4)CC3)(CC[C@@]2([C@@H](O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)OS([O-])(=O)=O)O)C([O-])=O)[C@@H]1O)C)[H])[H])[H] C1[C@]2([C@]3([C@@](C4=C(C=C(O)C=C4)CC3)(CC[C@@]2([C@@H](O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)OS([O-])(=O)=O)O)C([O-])=O)[C@@H]1O)C)[H])[H])[H] is A steroid glucuronide anion that is the conjugate base of estriol 17-O-(3-sulfo-beta-D-glucuronide) arising from deprotonation of the carboxylic and sulfate groups; major species at pH 7.3. It is also related to or classified as steroid glucosiduronic acid anion .
The molecule CC[C@H]1OC(=O)\C=C\[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)C[C@@H](C)C(=O)\C=C\C=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC CC[C@H]1OC(=O)\C=C\[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)C[C@@H](C)C(=O)\C=C\C=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC is A mycinamicin composed of a 16-membered ring macrolactone core, an N,N-dimethylated deoxysugar desosamine and a 2,3-di-O-methylated 6-deoxysugar mycinose. It is also related to or classified as mycinamicin .
The molecule O([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C([O-])=O)O)OS([O-])(=O)=O)O)C2=CC3=C([C@@]4([C@]([C@]5([C@@]([C@@H](O)[C@@H](C5)O)(CC4)C)[H])(CC3)[H])[H])C=C2 O([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C([O-])=O)O)OS([O-])(=O)=O)O)C2=CC3=C([C@@]4([C@]([C@]5([C@@]([C@@H](O)[C@@H](C5)O)(CC4)C)[H])(CC3)[H])[H])C=C2 is A steroid glucuronide anion that is the conjugate base of estriol 3-O-(3-sulfo-beta-D-glucuronide) arising from deprotonation of the carboxylic and sulfate groups; major species at pH 7.3. It is also related to or classified as steroid glucosiduronic acid anion .