CHEBI:213129 - Penicitrinol D

ChEBI IDCHEBI:213129
ChEBI NamePenicitrinol D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O4
Net Charge0
Average Mass278.348
Monoisotopic Mass278.15181
SMILESCO[C@]1(C)C[C@H]2O[C@H](C)[C@@H](C)c3c(C)c(O)cc(c32)O1
InChIInChI=1S/C16H22O4/c1-8-10(3)19-13-7-16(4,18-5)20-12-6-11(17)9(2)14(8)15(12)13/h6,8,10,13,17H,7H2,1-5H3/t8-,10-,13-,16+/m1/s1
InChIKeyDIFREUFYEBCDCG-IEXNBPCCSA-N
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - PubMed (21467687)
ChEBI Ontology
Outgoing Relation(s)
Penicitrinol D (CHEBI:213129) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3S,5R,7R,8S)-3-methoxy-3,7,8,10-tetramethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(13),9,11-trien-11-ol
Manual XrefsDatabases
28185107ChemSpider