CHEBI:217462 - Palmaenone 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 Palmaenone B
ChEBI ID CHEBI:217462
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H9Cl3O4
Net Charge 0
Average Mass 299.530
Monoisotopic Mass 297.95664
InChI InChI=1S/C10H9Cl3O4/c1-3-4(11)5-6(12)7(14)8(13)10(5,16)9(15)17-2/h3,8,16H,1-2H3/b4-3+/t8-,10-/m1/s1
InChIKey PSKFUYJUFHLCDN-KHSHYHJCSA-N
SMILES ClC1=C(/C(/Cl)=C\C)[C@](O)(C(=O)OC)[C@@H](C1=O)Cl
Metabolite of Species Details
Lachnum palmae (NCBI:txid397619) See: PubMed
ChEBI Ontology
Outgoing Palmaenone B (CHEBI:217462) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
methyl (1S,5S)-3,5-dichloro-2-[(E)-1-chloroprop-1-enyl]-1-hydroxy-4-oxocyclopent-2-ene-1-carboxylate
Manual Xref Database
78437582 ChemSpider
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