CHEBI:223591 - Penostatin C

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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 Penostatin C
ChEBI ID CHEBI:223591
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H30O2
Net Charge 0
Average Mass 326.480
Monoisotopic Mass 326.22458
InChI InChI=1S/C22H30O2/c1-3-4-5-6-7-8-9-13-21-16(2)14-19-18-12-10-11-17(18)15-20(23)22(19)24-21/h9-11,13-15,18-19,21-22H,3-8,12H2,1-2H3/b13-9+/t18-,19+,21+,22-/m1/s1
InChIKey HWLGMVWNJRZMKV-MHNZBMDGSA-N
SMILES O=C1C=C2C=CC[C@H]2[C@H]3[C@H]1O[C@H](C(C)=C3)/C=C/CCCCCCC
Metabolite of Species Details
Penicilliumspecies (NCBI:txid5081) See: DOI
ChEBI Ontology
Outgoing Penostatin C (CHEBI:223591) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(3S,4aR,9aS,9bS)-2-methyl-3-[(E)-non-1-enyl]-4a,9,9a,9b-tetrahydro-3H-cyclopenta[]chromen-5-one
Manual Xref Database
8240508 ChemSpider
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