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CHEBI:169545 - Scutellarein 7-glucuronide-6-ferulate

ChEBI IDCHEBI:169545
ChEBI NameScutellarein 7-glucuronide-6-ferulate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H26O15
Net Charge0
Average Mass638.534
Monoisotopic Mass638.12717
SMILESCOc1cc(/C=C/C(=O)Oc2c(O[C@@H]3OC(C(=O)O)[C@@H](O)[C@H](O)C3O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)ccc1O
InChIInChI=1S/C31H26O15/c1-42-19-10-13(2-8-16(19)33)3-9-22(35)45-28-21(44-31-27(39)25(37)26(38)29(46-31)30(40)41)12-20-23(24(28)36)17(34)11-18(43-20)14-4-6-15(32)7-5-14/h2-12,25-27,29,31-33,36-39H,1H3,(H,40,41)/b9-3+/t25-,26-,27?,29?,31+/m0/s1
InChIKeyXXRCMNSCVDUMPU-KMOGSMKMSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Scutellarein 7-glucuronide-6-ferulate (CHEBI:169545) is a flavonoids (CHEBI:72544)
Scutellarein 7-glucuronide-6-ferulate (CHEBI:169545) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-6-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
24844040ChemSpider
LMPK12111104LIPID MAPS