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CHEBI:187135 - Embinin

ChEBI IDCHEBI:187135
ChEBI NameEmbinin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34O14
Net Charge0
Average Mass606.577
Monoisotopic Mass606.19486
SMILESCOc1ccc(-c2cc(=O)c3c(O)c(C4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OC4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)c(OC)cc3o2)cc1
InChIInChI=1S/C29H34O14/c1-11-21(32)24(35)26(37)29(40-11)43-28-25(36)22(33)18(10-30)42-27(28)20-16(39-3)9-17-19(23(20)34)14(31)8-15(41-17)12-4-6-13(38-2)7-5-12/h4-9,11,18,21-22,24-30,32-37H,10H2,1-3H3/t11-,18-,21-,22-,24+,25+,26+,27?,28-,29?/m1/s1
InChIKeyOXTGLFRGBDFBHI-FFIOIDJNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Embinin (CHEBI:187135) is a C-glycosyl compound (CHEBI:20857)
Embinin (CHEBI:187135) is a flavonoids (CHEBI:72544)
IUPAC Name 
6-[(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
Manual XrefsDatabases
2341995ChemSpider
Registry NumbersSources
CAS:52589-13-6ChemIDplus