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CHEBI:213800 - Versicoisochromane A

ChEBI IDCHEBI:213800
ChEBI NameVersicoisochromane A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O4
Net Charge0
Average Mass222.240
Monoisotopic Mass222.08921
SMILESCc1cc(C)c2c(c1O)C(=O)O[C@H](C)[C@@H]2O
InChIInChI=1S/C12H14O4/c1-5-4-6(2)10(13)9-8(5)11(14)7(3)16-12(9)15/h4,7,11,13-14H,1-3H3/t7-,11+/m1/s1
InChIKeySKIZYKCDLRPCCN-HQJQHLMTSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - PubMed (32151636)
ChEBI Ontology
Outgoing Relation(s)
Versicoisochromane A (CHEBI:213800) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R,4R)-4,8-dihydroxy-3,5,7-trimethyl-3,4-dihydroisochromen-1-one