CHEBI:202865 - Penicillipyrone 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 Penicillipyrone A
ChEBI ID CHEBI:202865
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H28O4
Net Charge 0
Average Mass 332.440
Monoisotopic Mass 332.19876
InChI InChI=1S/C20H28O4/c1-11-9-14(21)13-10-12-5-6-15-19(2,3)16(22)7-8-20(15,4)17(12)24-18(13)23-11/h9,12,15-17,22H,5-8,10H2,1-4H3/t12-,15-,16-,17-,20-/m0/s1
InChIKey RTMBTHYUTRLJOI-DTDKCHBMSA-N
SMILES O=C1C2=C(OC(=C1)C)O[C@@H]3[C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC[C@H]3C2)C
Metabolite of Species Details
Penicilliumspecies (NCBI:txid5081) See: PubMed
ChEBI Ontology
Outgoing Penicillipyrone A (CHEBI:202865) is a organic heterotricyclic compound (CHEBI:26979)
Penicillipyrone A (CHEBI:202865) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1S,2S,5S,7S,10S)-5-hydroxy-2,6,6,15-tetramethyl-16,18-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),14-dien-13-one
Manual Xref Database
78436924 ChemSpider
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