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CHEBI:202041 - Penicisochroman A

ChEBI IDCHEBI:202041
ChEBI NamePenicisochroman A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O4
Net Charge0
Average Mass274.316
Monoisotopic Mass274.12051
SMILESCO[C@]1(C)Cc2ccc3c(c2CO1)OC(=C(C)C)C3=O
InChIInChI=1S/C16H18O4/c1-9(2)14-13(17)11-6-5-10-7-16(3,18-4)19-8-12(10)15(11)20-14/h5-6H,7-8H2,1-4H3/t16-/m0/s1
InChIKeyNGRZDIKBJVTCRQ-INIZCTEOSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tet.2010.04.073)
ChEBI Ontology
Outgoing Relation(s)
Penicisochroman A (CHEBI:202041) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
7-methoxy-7-methyl-2-propan-2-ylidene-6,9-dihydrouro[3,2-h]isochromen-3-one
Manual XrefsDatabases
27024865ChemSpider