CHEBI:193187 - Isoxeniaphyllenol

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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 Isoxeniaphyllenol
ChEBI ID CHEBI:193187
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H32O
Net Charge 0
Average Mass 288.475
Monoisotopic Mass 288.24532
InChI InChI=1S/C20H32O/c1-15-8-6-9-16(2)17-14-20(5,18(17)11-10-15)13-7-12-19(3,4)21/h7-8,12,17-18,21H,2,6,9-11,13-14H2,1,3-5H3/b12-7+,15-8+/t17-,18-,20-/m1/s1
InChIKey BLKYNXQZVZSPOH-PITHWRBHSA-N
SMILES OC(\C=C\C[C@]1([C@]2([C@](C1)(C(CCC=C(CC2)C)=C)[H])[H])C)(C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing Isoxeniaphyllenol (CHEBI:193187) is a diterpenoid (CHEBI:23849)
IUPAC Name
(E)-5-[(1S,5E,9R,10R)-6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl]-2-methylpent-3-en-2-ol
Manual Xref Database
10236072 ChemSpider
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