CHEBI:187390 - Scutellarein 6,7,4'-trimethyl ether 5-(6'''-acetylglucosyl)(1->3)-galactoside

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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 6,7,4'-trimethyl ether 5-(6'''-acetylglucosyl)(1->3)-galactoside
ChEBI ID CHEBI:187390
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H40O16
Net Charge 0
Average Mass 692.667
Monoisotopic Mass 692.23164
InChI InChI=1S/C33H40O16/c1-6-18-25(37)31(49-32-27(39)26(38)24(36)22(47-32)13-44-14(2)34)28(40)33(46-18)48-30-23-17(35)11-19(15-7-9-16(41-3)10-8-15)45-20(23)12-21(42-4)29(30)43-5/h7-12,18,22,24-28,31-33,36-40H,6,13H2,1-5H3/t18?,22?,24-,25+,26+,27?,28?,31+,32+,33+/m1/s1
InChIKey QFXHCWNKYNSVJF-NCZZGLEWSA-N
SMILES O([C@H]1[C@@H](O)C(O[C@@H](OC2=C3C(OC(=CC3=O)C4=CC=C(OC)C=C4)=CC(OC)=C2OC)C1O)CC)[C@@H]5OC([C@@H](O)[C@H](O)C5O)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 6,7,4'-trimethyl ether 5-(6'''-acetylglucosyl)(1->3)-galactoside (CHEBI:187390) is a flavonoids (CHEBI:72544)
Scutellarein 6,7,4'-trimethyl ether 5-(6'''-acetylglucosyl)(1->3)-galactoside (CHEBI:187390) is a glycoside (CHEBI:24400)
IUPAC Name
[(3S,4S,6S)-6-[(2S,4S,5S)-2-[6,7-dimethoxy-2-(4-methoxyphenyl)-4-oxochromen-5-yl]oxy-6-ethyl-3,5-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Manual Xrefs Databases
24844077 ChemSpider
LMPK12111142 LIPID MAPS
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