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CHEBI:218405 - Penicitrinol P

ChEBI IDCHEBI:218405
ChEBI NamePenicitrinol P
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O6
Net Charge0
Average Mass308.330
Monoisotopic Mass308.12599
SMILESCOC(=O)[C@@]1(O)C[C@H]2O[C@H](C)[C@@H](C)c3c(C)c(O)cc(c32)O1
InChIInChI=1S/C16H20O6/c1-7-9(3)21-12-6-16(19,15(18)20-4)22-11-5-10(17)8(2)13(7)14(11)12/h5,7,9,12,17,19H,6H2,1-4H3/t7-,9-,12-,16-/m1/s1
InChIKeyYEZMCYKWBDSBML-CEVPSZDGSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (28276772)
ChEBI Ontology
Outgoing Relation(s)
Penicitrinol P (CHEBI:218405) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
methyl (3R,5R,7R,8S)-3,11-dihydroxy-7,8,10-trimethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene-3-carboxylate
Manual XrefsDatabases
78441820ChemSpider