CHEBI:224689 - Walleminone

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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 Walleminone
ChEBI ID CHEBI:224689
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H24O3
Net Charge 0
Average Mass 252.354
Monoisotopic Mass 252.17254
InChI InChI=1S/C15H24O3/c1-8-5-13(17)14(18)9(2)12(16)6-11-10(8)7-15(11,3)4/h9-11,13-14,17-18H,1,5-7H2,2-4H3/t9-,10+,11-,13-,14+/m1/s1
InChIKey NGQXJSTYWWTPOG-VGYDOTAVSA-N
SMILES O=C1[C@H]([C@H](O)[C@H](O)CC([C@H]2[C@@H](C1)C(C2)(C)C)=C)C
Metabolite of Species Details
Wallemia sebi (NCBI:txid148960) See: DOI
ChEBI Ontology
Outgoing Walleminone (CHEBI:224689) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(1R,4S,5S,6R,9R)-5,6-dihydroxy-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecan-3-one
Manual Xref Database
71044098 ChemSpider
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