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CHEBI:186377 - Skullcapflavone I 2'-(2''-E-cinnamoylglucoside)

ChEBI IDCHEBI:186377
ChEBI NameSkullcapflavone I 2'-(2''-E-cinnamoylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H30O12
Net Charge0
Average Mass606.580
Monoisotopic Mass606.17373
SMILESCOc1cc(O)c2c(=O)cc(-c3ccccc3O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3OC(=O)/C=C/c3ccccc3)oc2c1OC
InChIInChI=1S/C32H30O12/c1-39-23-15-20(35)26-19(34)14-22(41-30(26)29(23)40-2)18-10-6-7-11-21(18)42-32-31(28(38)27(37)24(16-33)43-32)44-25(36)13-12-17-8-4-3-5-9-17/h3-15,24,27-28,31-33,35,37-38H,16H2,1-2H3/b13-12+/t24?,27-,28+,31?,32-/m1/s1
InChIKeyFOWHMJBXCXWUGU-HRYPFWQPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Skullcapflavone I 2'-(2''-E-cinnamoylglucoside) (CHEBI:186377) is a ether (CHEBI:25698)
Skullcapflavone I 2'-(2''-E-cinnamoylglucoside) (CHEBI:186377) is a flavonoids (CHEBI:72544)
IUPAC Name 
[(2S,4S,5S)-4,5-dihydroxy-2-[2-(5-hydroxy-7,8-dimethoxy-4-oxochromen-2-yl)phenoxy]-6-(hydroxymethyl)oxan-3-yl] (E)-3-phenylprop-2-enoate
Manual XrefsDatabases
24844188ChemSpider
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