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CHEBI:215487 - Palmaerone E

ChEBI IDCHEBI:215487
ChEBI NamePalmaerone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC11H11BrO5
Net Charge0
Average Mass303.108
Monoisotopic Mass301.97899
SMILESCOc1c(O)c(O)c(Br)c2c1C(=O)O[C@H](C)C2
InChIInChI=1S/C11H11BrO5/c1-4-3-5-6(11(15)17-4)10(16-2)9(14)8(13)7(5)12/h4,13-14H,3H2,1-2H3/t4-/m1/s1
InChIKeyPMPNKLACGRWWJB-SCSAIBSYSA-N
Species of MetaboliteComponentSourceComments
Lachnum palmae (ncbitaxon:397619) - PubMed (29421516)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Palmaerone E (CHEBI:215487) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3R)-5-bromo-6,7-dihydroxy-8-methoxy-3-methyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
78442174ChemSpider