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CHEBI:202418 - Penicitrinol H

ChEBI IDCHEBI:202418
ChEBI NamePenicitrinol H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O5
Net Charge0
Average Mass278.304
Monoisotopic Mass278.11542
SMILESCC(=O)CC1(O)C(=O)C2=CO[C@H](C)[C@@H](C)C2=C(C)C1=O
InChIInChI=1S/C15H18O5/c1-7(16)5-15(19)13(17)9(3)12-8(2)10(4)20-6-11(12)14(15)18/h6,8,10,19H,5H2,1-4H3/t8-,10-,15?/m1/s1
InChIKeyZAMIESVSOVVQRX-GMZWUDIPSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (24090119)
ChEBI Ontology
Outgoing Relation(s)
Penicitrinol H (CHEBI:202418) is a benzopyran (CHEBI:22727)
IUPAC Name 
(3R,4S)-7-hydroxy-3,4,5-trimethyl-7-(2-oxopropyl)-3,4-dihydroisochromene-6,8-dione
Manual XrefsDatabases
32675002ChemSpider