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CHEBI:197173 - Topazolin hydrate

ChEBI IDCHEBI:197173
ChEBI NameTopazolin hydrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O7
Net Charge0
Average Mass386.400
Monoisotopic Mass386.13655
SMILESCOc1c(-c2ccc(O)cc2)oc2cc(O)c(CCC(C)(C)O)c(O)c2c1=O
InChIInChI=1S/C21H22O7/c1-21(2,26)9-8-13-14(23)10-15-16(17(13)24)18(25)20(27-3)19(28-15)11-4-6-12(22)7-5-11/h4-7,10,22-24,26H,8-9H2,1-3H3
InChIKeyKEKIPSWUQGMGCC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Topazolin hydrate (CHEBI:197173) is a flavones (CHEBI:24043)
IUPAC Name 
5,7-dihydroxy-6-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
Manual XrefsDatabases
LMPK12112683LIPID MAPS
24845346ChemSpider