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CHEBI:197227 - Hispidulin 7-(6''-E-p-Coumaroylglucoside)

ChEBI IDCHEBI:197227
ChEBI NameHispidulin 7-(6''-E-p-Coumaroylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H28O13
Net Charge0
Average Mass608.552
Monoisotopic Mass608.15299
SMILESCOc1c(O[C@@H]2OC(COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@H](O)C2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O
InChIInChI=1S/C31H28O13/c1-40-30-22(13-21-25(27(30)37)19(34)12-20(42-21)16-5-9-18(33)10-6-16)43-31-29(39)28(38)26(36)23(44-31)14-41-24(35)11-4-15-2-7-17(32)8-3-15/h2-13,23,26,28-29,31-33,36-39H,14H2,1H3/b11-4+/t23?,26-,28+,29?,31-/m1/s1
InChIKeyUOZVWIWAQMZYKF-MSSFEUPASA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Hispidulin 7-(6''-E-p-Coumaroylglucoside) (CHEBI:197227) is a flavonoids (CHEBI:72544)
Hispidulin 7-(6''-E-p-Coumaroylglucoside) (CHEBI:197227) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
24844089ChemSpider
LMPK12111154LIPID MAPS