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CHEBI:197077 - 6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':2',3']-4'-hydroxy-6'-methoxychalcone

ChEBI IDCHEBI:197077
ChEBI Name6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':2',3']-4'-hydroxy-6'-methoxychalcone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O5
Net Charge0
Average Mass354.402
Monoisotopic Mass354.14672
SMILESCOc1cc(O)c2c(c1C(=O)/C=C/c1ccccc1)OC(C)(C)C(O)C2
InChIInChI=1S/C21H22O5/c1-21(2)18(24)11-14-16(23)12-17(25-3)19(20(14)26-21)15(22)10-9-13-7-5-4-6-8-13/h4-10,12,18,23-24H,11H2,1-3H3/b10-9+
InChIKeyRRZAYLBTMJCGOF-MDZDMXLPSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':2',3']-4'-hydroxy-6'-methoxychalcone (CHEBI:197077) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(E)-1-(3,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-3-phenylprop-2-en-1-one
Manual XrefsDatabases
LMPK12120239LIPID MAPS
24845969ChemSpider