Palmaerin D (CHEBI:217211)

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ChEBI Ontology

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Palmaerin D

ChEBI ID	CHEBI:217211

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H9BrO4

Net Charge

Average Mass

273.082

Monoisotopic Mass

271.96842

InChI

InChI=1S/C10H9BrO4/c1-4-2-5-8(10(14)15-4)6(12)3-7(13)9(5)11/h3-4,12-13H,2H2,1H3/t4-/m1/s1

InChIKey

NRQHNWQOZLVWOB-SCSAIBSYSA-N

SMILES

BrC1=C(O)C=C(O)C2=C1C[C@@H](C)OC2=O

Metabolite of Species	Details
Lachnum palmae (NCBI:txid397619)	See: DOI

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Palmaerin D (CHEBI:217211) is a hydroxybenzoic acid (CHEBI:24676)

IUPAC Name

(3R)-5-bromo-6,8-dihydroxy-3-methyl-3,4-dihydroisochromen-1-one