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CHEBI:205068 - Penicisochroman C

ChEBI IDCHEBI:205068
ChEBI NamePenicisochroman C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O4
Net Charge0
Average Mass262.305
Monoisotopic Mass262.12051
SMILESCC(C)C1Oc2c(ccc3c2[C@H](O)O[C@@H](C)C3)C1=O
InChIInChI=1S/C15H18O4/c1-7(2)13-12(16)10-5-4-9-6-8(3)18-15(17)11(9)14(10)19-13/h4-5,7-8,13,15,17H,6H2,1-3H3/t8-,13?,15+/m0/s1
InChIKeyAVYZYONEAKDESK-QQUOSSGYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tet.2010.04.073)
ChEBI Ontology
Outgoing Relation(s)
Penicisochroman C (CHEBI:205068) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(7S,9R)-9-hydroxy-7-methyl-2-propan-2-yl-7,9-dihydro-6H-uro[3,2-h]isochromen-3-one
Manual XrefsDatabases
27024867ChemSpider