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CHEBI:180264 - 6'-Demethoxypraecansone B

ChEBI IDCHEBI:180264
ChEBI Name6'-Demethoxypraecansone B
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SubmitterMetaboLights
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FormulaC21H20O4
Net Charge0
Average Mass336.387
Monoisotopic Mass336.13616
SMILESCOc1c(C(=O)/C=C(\O)c2ccccc2)ccc2c1C=CC(C)(C)O2
InChIInChI=1S/C21H20O4/c1-21(2)12-11-16-19(25-21)10-9-15(20(16)24-3)18(23)13-17(22)14-7-5-4-6-8-14/h4-13,22H,1-3H3/b17-13-
InChIKeyNTSLHMYMWQPYFF-LGMDPLHJSA-N
ChEBI Ontology
Outgoing Relation(s)
6'-Demethoxypraecansone B (CHEBI:180264) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(Z)-3-hydroxy-1-(5-methoxy-2,2-dimethylchromen-6-yl)-3-phenylprop-2-en-1-one
Manual XrefsDatabases
24846037ChemSpider
LMPK12120386LIPID MAPS