CHEBI:204866 - Penicitrinol E

ChEBI IDCHEBI:204866
ChEBI NamePenicitrinol E
Stars
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-YZTUOPDFSA-N
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - PubMed (21467687)
ChEBI Ontology
Outgoing Relation(s)
Penicitrinol E (CHEBI:204866) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R,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
28185108ChemSpider