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CHEBI:223463 - Periplanetin D

ChEBI IDCHEBI:223463
ChEBI NamePeriplanetin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O5
Net Charge0
Average Mass224.212
Monoisotopic Mass224.06847
SMILESCc1c(O)cc2c(c1O)C(=O)O[C@@H](CO)C2
InChIInChI=1S/C11H12O5/c1-5-8(13)3-6-2-7(4-12)16-11(15)9(6)10(5)14/h3,7,12-14H,2,4H2,1H3/t7-/m1/s1
InChIKeyKXVMKBWXEKNBQN-SSDOTTSWSA-N
Species of MetaboliteComponentSourceComments
Neopestalotiopsis clavispora (ncbitaxon:289240) - DOI (10.1016/j.tetlet.2016.03.101)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Periplanetin D (CHEBI:223463) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3R)-6,8-dihydroxy-3-(hydroxymethyl)-7-methyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
58196703ChemSpider