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CHEBI:209961 - Pennicitrinone D

ChEBI IDCHEBI:209961
ChEBI NamePennicitrinone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24O6
Net Charge0
Average Mass396.439
Monoisotopic Mass396.15729
SMILESCc1c2c(c3oc4cc(=O)c(C)c5c-4c(c3c1O)O[C@H](C)[C@H]5C)O[C@H](C)[C@]2(C)O
InChIInChI=1S/C23H24O6/c1-8-11(4)27-20-16-14(7-13(24)9(2)15(8)16)29-21-17(20)19(25)10(3)18-22(21)28-12(5)23(18,6)26/h7-8,11-12,25-26H,1-6H3/t8-,11-,12-,23+/m1/s1
InChIKeyCRSYXEQNEAGMIY-JYUKFHQISA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (19282879)
ChEBI Ontology
Outgoing Relation(s)
Pennicitrinone D (CHEBI:209961) is a xanthenes (CHEBI:38835)
IUPAC Name 
(6R,7R,17S,18R)-3,6-dihydroxy-4,6,7,15,17,18-hexamethyl-8,11,19-trioxapentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(20),2,4,9,12,15-hexaen-14-one
Manual XrefsDatabases
28286263ChemSpider