CHEBI:184542 - Scutellarein 6,4'-dimethyl ether 7-(6''-acetylglucoside)

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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 Scutellarein 6,4'-dimethyl ether 7-(6''-acetylglucoside)
ChEBI ID CHEBI:184542
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H26O12
Net Charge 0
Average Mass 518.471
Monoisotopic Mass 518.14243
InChI InChI=1S/C25H26O12/c1-11(26)34-10-18-20(28)22(30)23(31)25(37-18)36-17-9-16-19(21(29)24(17)33-3)14(27)8-15(35-16)12-4-6-13(32-2)7-5-12/h4-9,18,20,22-23,25,28-31H,10H2,1-3H3/t18?,20-,22+,23?,25-/m1/s1
InChIKey FHBWUJAADRENKL-YYBMTHDGSA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(OC)C(O)=C3C(OC(=CC3=O)C4=CC=C(OC)C=C4)=C2)COC(=O)C
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 Scutellarein 6,4'-dimethyl ether 7-(6''-acetylglucoside) (CHEBI:184542) is a flavonoids (CHEBI:72544)
Scutellarein 6,4'-dimethyl ether 7-(6''-acetylglucoside) (CHEBI:184542) is a glycoside (CHEBI:24400)
IUPAC Name
[(3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate
Manual Xrefs Databases
24844092 ChemSpider
LMPK12111157 LIPID MAPS
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