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CHEBI:225981 - Penicimarin B

ChEBI IDCHEBI:225981
ChEBI NamePenicimarin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O4
Net Charge0
Average Mass264.321
Monoisotopic Mass264.13616
SMILESCOc1cccc2c1C(=O)O[C@H](CCC[C@H](C)O)C2
InChIInChI=1S/C15H20O4/c1-10(16)5-3-7-12-9-11-6-4-8-13(18-2)14(11)15(17)19-12/h4,6,8,10,12,16H,3,5,7,9H2,1-2H3/t10-,12+/m0/s1
InChIKeyANQUMTXATCXENQ-CMPLNLGQSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (23477451)
ChEBI Ontology
Outgoing Relation(s)
Penicimarin B (CHEBI:225981) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R)-3-[(4S)-4-hydroxypentyl]-8-methoxy-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
30770823ChemSpider