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CHEBI:213806 - Versicoisochromane B

ChEBI IDCHEBI:213806
ChEBI NameVersicoisochromane B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O4
Net Charge0
Average Mass222.240
Monoisotopic Mass222.08921
SMILESCc1cc(CO)c2c(c1O)C(=O)O[C@H](C)C2
InChIInChI=1S/C12H14O4/c1-6-3-8(5-13)9-4-7(2)16-12(15)10(9)11(6)14/h3,7,13-14H,4-5H2,1-2H3/t7-/m1/s1
InChIKeyIVPMBAZIFSYUQO-SSDOTTSWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - PubMed (32151636)
ChEBI Ontology
Outgoing Relation(s)
Versicoisochromane B (CHEBI:213806) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R)-8-hydroxy-5-(hydroxymethyl)-3,7-dimethyl-3,4-dihydroisochromen-1-one