CHEBI:215644 - Xeromphalinone 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 Xeromphalinone B
ChEBI ID CHEBI:215644
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H18O3
Net Charge 0
Average Mass 246.306
Monoisotopic Mass 246.12559
InChI InChI=1S/C15H18O3/c1-8-11(17)12-15(18-12)5-9-4-13(2,3)6-10(9)14(8,15)7-16/h7,9-10,12H,1,4-6H2,2-3H3/t9-,10-,12-,14+,15-/m1/s1
InChIKey MFGSTGRFOHGVEG-DTFMEENKSA-N
SMILES O=C1C(=C)[C@@]2(C=O)[C@H]3[C@H](CC(C3)(C)C)C[C@]42[C@@H]1O4
Metabolite of Species Details
Xeromphalinaspecies (NCBI:txid2011762) See: PubMed
ChEBI Ontology
Outgoing Xeromphalinone B (CHEBI:215644) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(1S,3R,7R,8S,11S)-5,5-dimethyl-9-methylidene-10-oxo-12-oxatetracyclo[6.4.0.01,11.03,7]dodecane-8-carbaldehyde
Manual Xref Database
25933116 ChemSpider
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