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CHEBI:203014 - Penicisochroman B

ChEBI IDCHEBI:203014
ChEBI NamePenicisochroman B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O4
Net Charge0
Average Mass276.332
Monoisotopic Mass276.13616
SMILESCO[C@@H]1O[C@@H](C)Cc2ccc3c(c21)OC(C(C)C)C3=O
InChIInChI=1S/C16H20O4/c1-8(2)14-13(17)11-6-5-10-7-9(3)19-16(18-4)12(10)15(11)20-14/h5-6,8-9,14,16H,7H2,1-4H3/t9-,14?,16+/m0/s1
InChIKeyOOXIYCFKVAWYJC-NEVUNZDHSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tet.2010.04.073)
ChEBI Ontology
Outgoing Relation(s)
Penicisochroman B (CHEBI:203014) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(7S,9R)-9-methoxy-7-methyl-2-propan-2-yl-7,9-dihydro-6H-uro[3,2-h]isochromen-3-one
Manual XrefsDatabases
27024866ChemSpider