anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O(C1C(O)[C@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)CO[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO)[C@@H]6OC([C@H](O)C(O)[C@@H]6O)C O(C1C(O)[C@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)CO[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO)[C@@H]6OC([C@H](O)C(O)[C@@H]6O)C is Quercetin 3-(2G-rhamnosylgentiobioside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@@H](C(=O)[O-])NC(=O)[C@@H](C)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O is trianion of UDP-N-acetylmuramoyl-L-alanine arising from deprotonation of diphosphate and alanine carboxy groups; major species at pH 7.3. It is a conjugate base of an UDP-N-acetylmuramoyl-L-alanine.
The molecule OC(CC\C=C\c1ccc(O)cc1)CCc1ccc(O)c(O)c1 OC(CC\C=C\c1ccc(O)cc1)CCc1ccc(O)c(O)c1 is A  diarylheptanoid that is (6E)-6-hepten-3-ol substituted by a 3,4-dihydroxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 respectively. It has been isolated from the rhizomes of Curcuma comosa. It has the role of plant metabolite . It is also related to or classified as catechols  . It is also related to or classified as secondary alcohol  . It is also related to or classified as diarylheptanoid .
The molecule Oc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)cc1 Oc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)cc1 is A cyclo(tyrosyl-tyrosyl) in which both stereocentres have L-configuration. Synthesized by Mycobacterium tuberculosis. It has the role of metabolite . It is also related to or classified as cyclo(tyrosyl-tyrosyl)  .
The molecule C[C@H](CC[C@H]([C@@H](C)C(=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)O)[C@H]4CC[C@@H]5[C@@]4([C@H](C[C@H]6[C@H]5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)O)C is tetraanion of (24R,25R)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oyl-CoA arising from deprotonation of phosphate and diphosphate OH groups. It is a conjugate base of a (24R,25R)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oyl-CoA.
The molecule CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/C3=CC=CC=C3)O)OC(=O)/C=C/C4=CC=CC=C4)COC(=O)C)OC(=O)C)O)OC(=O)C is an O-acyl carbohydrate that consists of beta-D-fructofuranosyl beta-D-glucopyranoside in which the hydroxy protons are replaced by acetyl and trans-cinnamoyl groups. Isolated from Phyllanthus niruri, it exhibits anti-HIV activity. It has a role as a metabolite and an anti-HIV agent. It is a cinnamate ester, an acetate ester, a disaccharide derivative and an O-acyl carbohydrate. It derives from a trans-cinnamic acid.
The molecule O=C1OC(C(CCCC[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@@H]2O)O)CO)C)C)CC(O)C(C(=O)N[C@@H](C(N([C@H]1C(C)C)C)=O)CC3=CC=CC=C3)C O=C1OC(C(CCCC[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@@H]2O)O)CO)C)C)CC(O)C(C(=O)N[C@@H](C(N([C@H]1C(C)C)C)=O)CC3=CC=CC=C3)C is Colletotrichamide E. It is also related to or classified as glycoside  . It is also related to or classified as cyclodepsipeptide  .
The molecule [H][C@@]12C=C(C)C(=O)[C@@]1(O)C=C(CO)C(=O)[C@@]1([H])[C@]3([H])[C@@](C)(COC(=O)C(\C)=C/C)[C@@]3(C[C@@H](C)[C@]21O)OC(=O)C(C)C [H][C@@]12C=C(C)C(=O)[C@@]1(O)C=C(CO)C(=O)[C@@]1([H])[C@]3([H])[C@@](C)(COC(=O)C(\C)=C/C)[C@@]3(C[C@@H](C)[C@]21O)OC(=O)C(C)C is rel-16-Angeloyloxy-13alpha-isobutanoyloxy-4beta,9alpha,20-trihydroxytiglia-1,5-diene-3,7-dione. It has the role of metabolite . It is also related to or classified as phorbol ester .
The molecule N[C@@H](CCC(=O)NCC(O)=O)C(O)=O N[C@@H](CCC(=O)NCC(O)=O)C(O)=O is A glutamyl-L-amino acid obtained by formal condensation of the gamma-carboxy group of glutamic acid with the amino group of glycine. It has the role of human metabolite . It is a conjugate acid of gamma-Glu-Gly(1-) . It is also related to or classified as glutamyl-L-amino acid .
The molecule COc1cc(CCC(=O)\C=C\CCc2ccc(O)cc2)ccc1O COc1cc(CCC(=O)\C=C\CCc2ccc(O)cc2)ccc1O is A  diarylheptanoid that is (4E)-4-hepten-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 respectively. It has been isolated from the rhizomes of Curcuma kwangsiensis. It has the role of plant metabolite . It is also related to or classified as guaiacols  . It is also related to or classified as enone  . It is also related to or classified as diarylheptanoid .
The molecule CCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 is A saturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of docosanoyl-CoA (behenoyl-CoA); major species at pH 7.3. Its functional parent is docosanoic acid . It is also related to or classified as 3-substituted propionyl-CoA(4-)  . It is also related to or classified as saturated fatty acyl-CoA(4-)  . It is also related to or classified as long-chain fatty acyl-CoA(4-)  .
The molecule C1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O[C@H]2C[C@H](O[C@@H]2COP(=O)(O)O)O)O is a 2-deoxyribose bisphosphate that is 2-deoxy-alpha-D-ribofuranose 3,5-bisphosphate in which the phosphate group at position 3 is esterfied by a 2-deoxy-alpha-D-ribofuranos-5-yl group. It has a role as a Mycoplasma genitalium metabolite.
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC(=O)CCCCCCCCCCCCCCC)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OS(=O)(=O)O)CO)O is a sulfoglycolipid in which alpha,alpha-trehalose, sulfated at the 2'-position, is acylated at the 2-position with palmitic acid, and at the 3-position with triacontanoic acid. It derives from an alpha,alpha-trehalose.
The molecule CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCC is a phosphatidylglycerol in which the phosphatidyl acyl groups are both tetradecanoyl (myristoyl). It is a conjugate acid of a ditetradecanoyl phosphatidylglycerol(1-).
The molecule OC(=O)[C@H]1CCCN1 OC(=O)[C@H]1CCCN1 is the D-enantiomer of proline. It has the role of mouse metabolite . It is a conjugate acid of D-prolinate . It is also related to or classified as D-alpha-amino acid  . It is also related to or classified as proline  .
The molecule CC(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-])[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/CCCCCCCCCCC(=O)[O-])O is an acyl-CoA oxoanion that is the pentaanion of trans-2-tetradecenedioyl-CoA, arising from deprotonation of phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3. It is a conjugate base of a (2E)-tetradecenedioyl-CoA.
The molecule C1Oc2cc3CC[n+]4cc5c6OCOc6ccc5cc4-c3cc2O1 C1Oc2cc3CC[n+]4cc5c6OCOc6ccc5cc4-c3cc2O1 is coptisine. It has the role of metabolite . It is also related to or classified as alkaloid  .
The molecule NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O is A dipeptide formed from glycine and L-phenylalanine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule Oc1ccc(CCC(=O)\C=C\C=C\c2ccc(O)cc2)cc1 Oc1ccc(CCC(=O)\C=C\C=C\c2ccc(O)cc2)cc1 is A  diarylheptanoid that is 4E-6E-dien-3-one substituted by 4-hydroxyphenyl group at positions 1 and 7. It has been isolated from the rhizomes of Curcuma kwangsiensis. It has the role of plant metabolite . It is also related to or classified as phenols  . It is also related to or classified as enone  . It is also related to or classified as diarylheptanoid .
The molecule OC(C(O)=O)c1ccc2OCOc2c1 OC(C(O)=O)c1ccc2OCOc2c1 is A 2-hydroxy monocarboxylic acid that is mandelic acid in which positions 3 and 4 on the benzene ring are substituted by a methylenedioxy group. It has the role of metabolite . Its functional parent is mandelic acid . It is also related to or classified as benzodioxoles , 2-hydroxy monocarboxylic acid .
The molecule CC(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-])[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=C(C=C(C=C4)Cl)Cl)O is an acyl-CoA(4-) that is the tetraanion of 2,4-dichlorobenzoyl-CoA, arising from deprotonation of phosphate and diphosphate functions. It is a conjugate base of a 2,4-dichlorobenzoyl-CoA.
The molecule CSSCC=C is an organic disulfide having allyl and methyl as the two organic groups. It has a role as a plant metabolite and a volatile oil component.
The molecule C[NH2+]CC([O-])=O C[NH2+]CC([O-])=O is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of sarcosine; major species at pH 7.3. It is also related to or classified as N-alkylglycine zwitterion  .
The molecule C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)OS(=O)(=O)O is a monosaccharide sulfate that is D-glucopyranose carrying a single sulfo substituent at position 6. It derives from a D-glucopyranose. It is a conjugate acid of a D-glucopyranose 6-sulfate(1-).
The molecule [H][C@]1(O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)O[C@@H]1[C@@H](O[C@]2([H])O[C@@H](C)[C@H](OC(=O)[C@@H](C)CC)[C@@H](O)[C@H]2O)[C@H](C)O[C@@H](O[C@@]2([H])[C@H](C)O[C@H]3O[C@]4([H])[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]4O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@H]2[C@H]3O)[C@@H]1OC(=O)CCCCCCCCC [H][C@]1(O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)O[C@@H]1[C@@H](O[C@]2([H])O[C@@H](C)[C@H](OC(=O)[C@@H](C)CC)[C@@H](O)[C@H]2O)[C@H](C)O[C@@H](O[C@@]2([H])[C@H](C)O[C@H]3O[C@]4([H])[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]4O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@H]2[C@H]3O)[C@@H]1OC(=O)CCCCCCCCC is stoloniferin III. It has the role of metabolite . It is also related to or classified as oligosaccharide  .
The molecule COc1cc(CCC(=O)CCCCc2ccc(O)cc2)ccc1O COc1cc(CCC(=O)CCCCc2ccc(O)cc2)ccc1O is A diarylheptanoid that is 3-heptanone substituted by a 4-hydroxy-3-methoxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7. It has been isolated from the rhizomes of Curcuma kwangsiensis. It has the role of plant metabolite . It is also related to or classified as guaiacols  . It is also related to or classified as ketone  . It is also related to or classified as diarylheptanoid .
The molecule Oc1ccc(CC2NC(=O)C(Cc3ccc(O)cc3)NC2=O)cc1 Oc1ccc(CC2NC(=O)C(Cc3ccc(O)cc3)NC2=O)cc1 is A member of the class of 2,5-diketopiperazines that is piperazine-2,5-dione in which one hydrogen at position 3 and one hydrogen at position 6 are replaced by p-hydroxybenzyl groups. It is also related to or classified as 2,5-diketopiperazines  .
The molecule C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)C(=O)OC)CCC4=CC(=O)C=C[C@]34C)O is a methyl prednisolone-16-carboxylate, a primary alpha-hydroxy ketone and a tertiary alpha-hydroxy ketone. It derives from a prednisolone-16alpha-carboxylic acid.
The molecule CCCCCCCCCCCCCCCCCOCC(=O)COP(=O)([O-])[O-] is a 1-alkylglycerone 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-heptadecylglycerone 3-phosphate; major species at pH 7.3. It is a conjugate base of a 1-heptadecylglycerone 3-phosphate.
The molecule CCCCCCCCCC(=O)O[C@H]1[C@H](O[C@H]2[C@H](C)O[C@H]3O[C@@H]4[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]4O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@@H]3[C@@H]2O)O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](OC(=O)[C@@H](C)CC)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O CCCCCCCCCC(=O)O[C@H]1[C@H](O[C@H]2[C@H](C)O[C@H]3O[C@@H]4[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]4O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@@H]3[C@@H]2O)O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](OC(=O)[C@@H](C)CC)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O is A resin glycoside that is the pentasaccharide derivative of jalapinolic acid. Isolated from the aerial parts of Ipomoea pes-caprae, it has been found to exhibit potential inhibitory effect against multidrug resistance in the human breast cancer cell line. It has the role of metabolite . Its functional parent is octanoic acid . Its functional parent is (S)-2-methylbutyric acid . Its functional parent is jalapinolic acid .     It is also related to or classified as decanoate ester  . It is also related to or classified as cinnamate ester , pentasaccharide derivative , macrocyclic lactone , resin glycoside .
The molecule CCC(C)(C#CC#CC(C)(CC)O)O is an acetylenic compound that is deca-4,6-diyne substituted by methyl groups at positions 3 and 8 and hydroxy groups at positions 3 and 8 respectively. It has a role as a metabolite. It is an acetylenic compound and a diol.
The molecule CSCCCCC[C@@H](C(=O)O)NO is an N-hydroxy-L-polyhomomethionine in which there are five methylene groups between the alpha-carbon and sulfur atoms. It is a N-hydroxy-L-polyhomomethionine and a N-hydroxytrihomomethionine. It is a conjugate acid of a N-hydroxy-L-trihomomethioninate.
The molecule Oc1ccc(CCCCC(=O)CCc2ccc(O)cc2)cc1 Oc1ccc(CCCCC(=O)CCc2ccc(O)cc2)cc1 is A  diarylheptanoid that is 3-heptanone substituted  by a 4-hydroxyphenyl group at positions 1 and 7 respectively. It has been isolated from the rhizomes of Curcuma kwangsiensis. It has the role of plant metabolite . It is also related to or classified as ketone  . It is also related to or classified as phenols  . It is also related to or classified as diarylheptanoid .
The molecule CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O is A UDP-2-acetamido-2-deoxy-D-glucuronic acid having alpha-configuration at the anomeric centre. It is a conjugate acid of UDP-2-acetamido-2-deoxy-alpha-D-glucuronate(3-) . It is also related to or classified as UDP-N-acetyl-2-amino-2-deoxy-D-glucuronic acid  .
The molecule CC(CN1C=CC2=CC(=C(C=C21)Cl)F)N is a member of the class of indoles that is 6-chloro-5-fluoroindole in which the hydrogen attached to the nitrogen has been replaced by a 2-aminopropyl group. It is a member of indoles, an organofluorine compound, an organochlorine compound and a primary amino compound.
The molecule C[C@H]([C@@H](C(=O)[O-])NC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O is a hydroxy monocarboxylic acid anion that is the conjugate base of N-[(9-beta-D-ribofuranosylpurin-6-yl)carbamoyl]threonine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has a role as an Escherichia coli metabolite and a human metabolite. It is a conjugate base of a N-[(9-beta-D-ribofuranosylpurin-6-yl)carbamoyl]threonine.
The molecule [H]C(=Cc1ccccc1C(O)=O)C(=O)C(O)=O [H]C(=Cc1ccccc1C(O)=O)C(=O)C(O)=O is 4-(2-carboxyphenyl)-2-oxobut-3-enoic acid. Its functional parent is benzoic acid . Its functional parent is but-3-enoic acid . It is also related to or classified as oxo carboxylic acid .
The molecule Oc1ccc2c(oc3cccc(O)c3c2=O)c1O Oc1ccc2c(oc3cccc(O)c3c2=O)c1O is A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 5 and 6. It has the role of plant metabolite . It is also related to or classified as polyphenol , xanthones .
The molecule C(C(=O)[C@H](C(=O)[O-])O)O is the conjugate base of 3-dehydro-L-threonic acid; major species at pH 7.3. It is a hydroxy monocarboxylic acid anion and a 3-oxo monocarboxylic acid anion. It is a conjugate base of a (R)-2,4-dihydroxy-3-oxobutanoic acid. It is an enantiomer of a (S)-2,4-dihydroxy-3-oxobutanoate.
The molecule Oc1ccc(CCC(=O)CC\C=C\c2ccccc2)cc1 Oc1ccc(CCC(=O)CC\C=C\c2ccccc2)cc1 is A  diarylheptanoid that is hept-6-en-3-one substituted by a 4-hydroxyphenyl group at position 1 and a phenyl group at position 7 respectively. It has been isolated from the rhizomes of Curcuma kwangsiensis. It has the role of plant metabolite . It is also related to or classified as ketone  . It is also related to or classified as phenols  . It is also related to or classified as diarylheptanoid .
The molecule N[C@H]1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O N[C@H]1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O is an amino cyclitol that is scyllo-inosamine in which the 2-hydroxy group is substituted by hydrogen. Its functional parent is scyllo-inositol . It is also related to or classified as amino cyclitol .
The molecule C/C=C(/C)\\C(=O)O[C@H]1CC(C[C@@H]2[C@]1([C@@H](C[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)C)C)C)O)CO)(C)C is a triterpenoid saponin that is 3,16,28-trihydroxyolean-12-en-22-yl (2Z)-2-methylbut-2-enoate attached to a tetrasaccharide residue at position 3 via a glycosidic linkage. Isolated from the stems of Gordonia chrysandra, it exhibits a strong inhibitory effect on nitric oxide production. It has a role as a plant metabolite and an anti-inflammatory agent. It is a triterpenoid saponin, a pentacyclic triterpenoid, a tetrasaccharide derivative and a beta-D-glucosiduronic acid. It derives from an angelic acid. It derives from a hydride of an oleanane.
The molecule C1=CC=C(C=C1)C(=O)[O-].[Na+] is an organic sodium salt resulting from the replacement of the proton from the carboxy group of benzoic acid by a sodium ion. It has a role as an antimicrobial food preservative, a drug allergen, an EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor, an EC 3.1.1.3 (triacylglycerol lipase) inhibitor, an algal metabolite, a human xenobiotic metabolite and a plant metabolite. It contains a benzoate.
The molecule [H]C(=O)[C@@](O)(CO)[C@H](O)[C@H](O)CO [H]C(=O)[C@@](O)(CO)[C@H](O)[C@H](O)CO is an aldopentose comprising D-ribose having a hydroxymethyl group at the 2-position. Its functional parent is D-ribose . It is also related to or classified as aldopentose  .
The molecule CCCCC[C@H]1CCCCCCCCCC(=O)O[C@@H]2[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4O[C@@H](C)[C@H](OC(=O)[C@@H](C)CC)[C@@H](OC(=O)\C=C\c5ccccc5)[C@H]4O)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H]3OC(=O)CCCCC)[C@H](C)O[C@H]2O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]2O1 CCCCC[C@H]1CCCCCCCCCC(=O)O[C@@H]2[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4O[C@@H](C)[C@H](OC(=O)[C@@H](C)CC)[C@@H](OC(=O)\C=C\c5ccccc5)[C@H]4O)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H]3OC(=O)CCCCC)[C@H](C)O[C@H]2O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]2O1 is A resin glycoside that is the pentasaccharide derivative of jalapinolic acid. Isolated from the aerial parts of Ipomoea pes-caprae, it has been found to exhibit potential inhibitory effect against multidrug resistance in the human breast cancer cell line. It has the role of metabolite . Its functional parent is hexanoic acid . Its functional parent is trans-cinnamic acid . Its functional parent is (S)-2-methylbutyric acid . Its functional parent is jalapinolic acid .     It is also related to or classified as hexanoate ester  . It is also related to or classified as cinnamate ester , pentasaccharide derivative , macrocyclic lactone , resin glycoside .
The molecule C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O[C@@H]2C[C@@](O[C@@H]([C@@H]2O)[C@@H](CO)O)(C(=O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)OP(=O)(O)O)N)O)O)N)O)OP(=O)(O)O)[C@@H](CO)O)O)O is an amino tetrasaccharide antigen consisting of two 3-deoxy-D-manno-oct-2-ulose residues and two glucosamine residues (one at the reducing end) in a linear sequence, with two phosphate groups attached. It has a role as an antigen.
The molecule Oc1ccc(CCC(=O)CC\C=C\c2ccc(O)cc2)cc1 Oc1ccc(CCC(=O)CC\C=C\c2ccc(O)cc2)cc1 is A diarylheptanoid that is hept-6-en-3-one substituted by a 4-hydroxyphenyl group at positions 1 and 7. It has been isolated from the rhizomes of Curcuma kwangsiensis. It has the role of plant metabolite . It is also related to or classified as ketone  . It is also related to or classified as phenols  . It is also related to or classified as diarylheptanoid .
The molecule [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@@H](C)C[NH+]2C [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@@H](C)C[NH+]2C is an organic cation obtained by deprotonation of the tertiary amino group of festuclavine; major species at pH 7.3. It is a conjugate acid of festuclavine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3.OS(=O)(=O)[O-] is an organic hydrogensulfate salt having 4-{[4-(diethylamino)phenyl](phenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium as the counterion. It has a role as a fluorochrome, a histological dye, an antiseptic drug, an antibacterial agent, a poison and an environmental contaminant. It contains a brilliant green cation.
The molecule CC(C(=O)C)C(=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-oxoacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-methylacetoacetic acid. It has a role as a mouse metabolite. It derives from a butyryl-CoA. It is a conjugate acid of a 2-methylacetoacetyl-CoA(4-).
The molecule CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1OP(O)(O)=O CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1OP(O)(O)=O is A N-acetyl-D-glucosamine 1-phosphate that is 2-deoxy-D-glucopyranose 1-(dihydrogen phosphate) substituted by an acetamido group at position 2. It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is also related to or classified as N-acetyl-D-glucosamine 1-phosphate .
The molecule CCCCCC/C=C\\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC is a phosphatidylcholine 40:6 in which the acyl groups at C-1 and C-2 are (11Z)-octadecenoyl and (7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl respectively. It derives from a cis-vaccenic acid and a (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid.
The molecule CCCCCCCC(=O)O[C@H]1[C@H](O[C@H]2[C@H](C)O[C@H]3O[C@@H]4[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]4O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@H]2[C@H]3O)O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(=O)[C@@H](C)CC)[C@@H](OC(=O)\C=C\c3ccccc3)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O CCCCCCCC(=O)O[C@H]1[C@H](O[C@H]2[C@H](C)O[C@H]3O[C@@H]4[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]4O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@H]2[C@H]3O)O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(=O)[C@@H](C)CC)[C@@H](OC(=O)\C=C\c3ccccc3)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O is A resin glycoside that is the pentasaccharide derivative of jalapinolic acid. Isolated from the aerial parts of Ipomoea pes-caprae, it has been found to exhibit potential inhibitory effect against multidrug resistance in the human breast cancer cell line. It has the role of metabolite . Its functional parent is trans-cinnamic acid . Its functional parent is (S)-2-methylbutyric acid . Its functional parent is jalapinolic acid .     It is also related to or classified as octanoate ester  . It is also related to or classified as cinnamate ester , pentasaccharide derivative , macrocyclic lactone , resin glycoside .
The molecule CC(C)(CCCCCC(CCCCCC(C)(C)C(=O)O)O)C(=O)O is an alpha,omega-dicarboxylic acid that is pentadecanedioic acid which is substituted by methyl groups groups at positions 2 and 14, and by a hydroxy group at position 8. It is a drug used for the treatment of high LDL cholesterol, which is sometimes referred to as 'bad cholesterol'. It has a role as an antilipemic drug, an EC 2.3.3.8 (ATP citrate synthase) inhbitor and a prodrug.
The molecule CC(=O)O[C@H](CCCCc1ccc(O)cc1)CCc1ccc(O)c(O)c1 CC(=O)O[C@H](CCCCc1ccc(O)cc1)CCc1ccc(O)c(O)c1 is A diarylheptanoid that is heptane substituted by an acetoxy group at position 3, a 3,4-dihydroxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 (the 3R-stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis. It has the role of plant metabolite . It is also related to or classified as catechols  . It is also related to or classified as acetate ester  . It is also related to or classified as diarylheptanoid .