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CHEBI:214420 - Monaphilone B

ChEBI IDCHEBI:214420
ChEBI NameMonaphilone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESC/C=C/C1=CC2=C(CO1)C(=O)[C@](C)(O)[C@@H](CC(=O)CCCCC)C2
InChIInChI=1S/C20H28O4/c1-4-6-7-9-16(21)12-15-10-14-11-17(8-5-2)24-13-18(14)19(22)20(15,3)23/h5,8,11,15,23H,4,6-7,9-10,12-13H2,1-3H3/b8-5+/t15-,20-/m1/s1
InChIKeyCSEZJTMVEKOTTH-KRSZBIKMSA-N
Species of MetaboliteComponentSourceComments
Monascus (ncbitaxon:5097) - PubMed (20597545)
ChEBI Ontology
Outgoing Relation(s)
Monaphilone B (CHEBI:214420) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(6R,7R)-7-hydroxy-7-methyl-6-(2-oxoheptyl)-3-[(E)-prop-1-enyl]-5,6-dihydro-1H-isochromen-8-one
Manual XrefsDatabases
78441135ChemSpider