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CHEBI:200871 - Penicimarin C

ChEBI IDCHEBI:200871
ChEBI NamePenicimarin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O5
Net Charge0
Average Mass280.320
Monoisotopic Mass280.13107
SMILESCOc1c(O)ccc2c1C(=O)O[C@H](CCC[C@H](C)O)C2
InChIInChI=1S/C15H20O5/c1-9(16)4-3-5-11-8-10-6-7-12(17)14(19-2)13(10)15(18)20-11/h6-7,9,11,16-17H,3-5,8H2,1-2H3/t9-,11+/m0/s1
InChIKeyBVVXKQVJVHFVBC-GXSJLCMTSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (23477451)
ChEBI Ontology
Outgoing Relation(s)
Penicimarin C (CHEBI:200871) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R)-7-hydroxy-3-[(4S)-4-hydroxypentyl]-8-methoxy-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
30770824ChemSpider