CHEBI:198590 - Penostatin B

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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 B
ChEBI ID CHEBI:198590
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H32O3
Net Charge 0
Average Mass 344.495
Monoisotopic Mass 344.23514
InChI InChI=1S/C22H32O3/c1-3-4-5-6-7-8-9-10-21-15(2)11-19-18-14-17(23)12-16(18)13-20(24)22(19)25-21/h9-11,13,17-19,21-23H,3-8,12,14H2,1-2H3/b10-9+/t17-,18-,19+,21+,22-/m1/s1
InChIKey ONCGMAFAIBLDNP-NCHXIBIBSA-N
SMILES O=C1C=C2[C@@H](C[C@@H](C2)O)[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 B (CHEBI:198590) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(3S,4aR,8S,9aS,9bS)-8-hydroxy-2-methyl-3-[(E)-non-1-enyl]-4a,7,8,9,9a,9b-hexahydro-3H-cyclopenta[]chromen-5-one
Manual Xref Database
8625628 ChemSpider
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