EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:205161 - Penicitrinone A

ChEBI IDCHEBI:205161
ChEBI NamePenicitrinone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24O5
Net Charge0
Average Mass380.440
Monoisotopic Mass380.16237
SMILESCc1c2c(c3oc4cc(=O)c(C)c5c-4c(c3c1O)O[C@H](C)[C@H]5C)O[C@H](C)[C@H]2C
InChIInChI=1S/C23H24O5/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/h7-9,12-13,25H,1-6H3/t8-,9-,12-,13-/m1/s1
InChIKeyWZDGQCYEIYZRBL-NRMKKVEVSA-N
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - DOI (10.1007/s11418-006-0001-2)
ChEBI Ontology
Outgoing Relation(s)
Penicitrinone A (CHEBI:205161) is a xanthenes (CHEBI:38835)
IUPAC Name 
(6S,7R,17S,18R)-3-hydroxy-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
9857099ChemSpider