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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Skullcapflavone I 2'-(2''-E-cinnamoylglucoside)
ChEBI ID CHEBI:186377
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H30O12
Net Charge 0
Average Mass 606.580
Monoisotopic Mass 606.17373
InChI InChI=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
InChIKey FOWHMJBXCXWUGU-HRYPFWQPSA-N
SMILES O1C([C@@H](O)[C@H](O)C(OC(=O)/C=C/C2=CC=CC=C2)[C@@H]1OC=3C(C=4OC5=C(C(=O)C4)C(O)=CC(OC)=C5OC)=CC=CC3)CO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
24844188 ChemSpider
LMPK12111300 LIPID MAPS
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