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CHEBI:209561 - Penicitrinol A

ChEBI IDCHEBI:209561
ChEBI NamePenicitrinol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26O5
Net Charge0
Average Mass382.456
Monoisotopic Mass382.17802
SMILESCc1c(O)c2c(c3c1[C@H](C)[C@@H](C)O3)Oc1cc(O)c(C)c3c1[C@H]2O[C@H](C)[C@H]3C
InChIInChI=1S/C23H26O5/c1-8-12(5)26-21-18-15(7-14(24)10(3)16(8)18)28-23-19(21)20(25)11(4)17-9(2)13(6)27-22(17)23/h7-9,12-13,21,24-25H,1-6H3/t8-,9-,12-,13-,21-/m1/s1
InChIKeyCRGUXPKRGKYBJY-ZUZBTREBSA-N
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - DOI (10.1007/s11418-006-0001-2)
ChEBI Ontology
Outgoing Relation(s)
Penicitrinol A (CHEBI:209561) is a xanthenes (CHEBI:38835)
IUPAC Name 
(1R,6S,7R,17S,18R)-4,6,7,15,17,18-hexamethyl-8,11,19-trioxapentacyclo[10.7.1.02,10.05,9.016,20]icosa-2,4,9,12(20),13,15-hexaene-3,14-diol
Manual XrefsDatabases
23340847ChemSpider