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CHEBI:216969 - Sclerotinin B

ChEBI IDCHEBI:216969
ChEBI NameSclerotinin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O5
Net Charge0
Average Mass238.239
Monoisotopic Mass238.08412
SMILESCc1c(O)c(C)c2c(c1O)C(=O)O[C@](C)(O)C2
InChIInChI=1S/C12H14O5/c1-5-7-4-12(3,16)17-11(15)8(7)10(14)6(2)9(5)13/h13-14,16H,4H2,1-3H3/t12-/m0/s1
InChIKeyGWCJDGBOQAPHGT-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - DOI (10.1080/00021369.1968.10859243)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Sclerotinin B (CHEBI:216969) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
3,6,8-trihydroxy-3,5,7-trimethyl-4H-isochromen-1-one
Manual XrefsDatabases
23340871ChemSpider