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CHEBI:215473 - Palmaerone C

ChEBI IDCHEBI:215473
ChEBI NamePalmaerone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H13BrO4
Net Charge0
Average Mass301.136
Monoisotopic Mass299.99972
SMILESCOc1cc2c(c(OC)c1Br)C(=O)O[C@H](C)C2
InChIInChI=1S/C12H13BrO4/c1-6-4-7-5-8(15-2)10(13)11(16-3)9(7)12(14)17-6/h5-6H,4H2,1-3H3/t6-/m1/s1
InChIKeyZCKXTYZQQWIKEA-ZCFIWIBFSA-N
Species of MetaboliteComponentSourceComments
Lachnum palmae (ncbitaxon:397619) - PubMed (29421516)
ChEBI Ontology
Outgoing Relation(s)
Palmaerone C (CHEBI:215473) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R)-7-bromo-6,8-dimethoxy-3-methyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
78442172ChemSpider