CHEBI:205161 - Penicitrinone A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Penicitrinone A
ChEBI ID CHEBI:205161
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H24O5
Net Charge 0
Average Mass 380.440
Monoisotopic Mass 380.16237
InChI InChI=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
InChIKey WZDGQCYEIYZRBL-NRMKKVEVSA-N
SMILES O=C1C(=C2C3=C(O[C@@H]([C@H]2C)C)C=4C(O)=C(C)C5=C(C4OC3=C1)O[C@H](C)[C@H]5C)C
Metabolite of Species Details
Penicillium citrinum (NCBI:txid5077) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
9857099 ChemSpider
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