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CHEBI:210030 - Penicitrinone G

ChEBI IDCHEBI:210030
ChEBI NamePenicitrinone G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O6
Net Charge0
Average Mass384.428
Monoisotopic Mass384.15729
SMILESC[C@@H]1OC2=C([C@@H]1C)[C@]1(C)C(=O)[C@H](C2=O)[C@]2(C)C(=O)[C@H]1C(=O)C1=C2[C@H](C)[C@@H](C)O1
InChIInChI=1S/C22H24O6/c1-7-9(3)27-17-11(7)21(5)13-16(24)18-12(8(2)10(4)28-18)22(6,20(13)26)14(15(17)23)19(21)25/h7-10,13-14H,1-6H3/t7-,8-,9-,10+,13+,14-,21-,22+/m1/s1
InChIKeyFPHVZVYSSMJFPI-YDTYKROXSA-N
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - PubMed (32344725)
ChEBI Ontology
Outgoing Relation(s)
Penicitrinone G (CHEBI:210030) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1S,2R,4S,5S,9R,10S,12S,13R)-2,4,5,10,12,13-hexamethyl-6,14-dioxapentacyclo[8.6.1.12,9.03,7.011,15]octadeca-3(7),11(15)-diene-8,16,17,18-tetrone
Manual XrefsDatabases
81624538ChemSpider