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CHEBI:7500 - neocarlinoside

ChEBI IDCHEBI:7500
ChEBI Nameneocarlinoside
Stars
DefinitionA flavone C-glycoside that is flavone substituted by hydroxy groups at positions 5, 7, 3' and 4' and a β-D-glucopyranosyl and a β-L-arabinopyranosyl residue via C-glycosidic linkages at positions 6 and 8 respectively
Last Modified9 June 2015
DownloadsMolfile
FormulaC26H28O15
Net Charge0
Average Mass580.495
Monoisotopic Mass580.14282
SMILESO=c1cc(-c2ccc(O)c(O)c2)oc2c([C@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
InChIInChI=1S/C26H28O15/c27-5-13-18(33)21(36)23(38)26(41-13)15-19(34)14-10(30)4-12(7-1-2-8(28)9(29)3-7)40-24(14)16(20(15)35)25-22(37)17(32)11(31)6-39-25/h1-4,11,13,17-18,21-23,25-29,31-38H,5-6H2/t11-,13+,17-,18+,21-,22+,23+,25+,26-/m0/s1
InChIKeyXBGYTZHKGMCEGE-LQYCTPBQSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) - PubMed (24310066)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
neocarlinoside (CHEBI:7500) has functional parent flavone (CHEBI:42491)
neocarlinoside (CHEBI:7500) has role plant metabolite (CHEBI:76924)
neocarlinoside (CHEBI:7500) is a flavone C-glycoside (CHEBI:83280)
neocarlinoside (CHEBI:7500) is a tetrahydroxyflavone (CHEBI:38684)
Manual XrefsDatabases
C10109KEGG COMPOUND
C00006188KNApSAcK
HMDB0037408HMDB
LMPK12110490LIPID MAPS
Registry NumbersSources
Reaxys:6563442Reaxys
CAS:83151-89-7KEGG COMPOUND
Citations