CHEBI:204029 - Inonotic acid 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 Inonotic acid B
ChEBI ID CHEBI:204029
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H26O3
Net Charge 0
Average Mass 254.370
Monoisotopic Mass 254.18819
InChI InChI=1S/C15H26O3/c1-10(5-4-6-12(3)15(17)18)13-8-7-11(2)14(16)9-13/h5,11-14,16H,4,6-9H2,1-3H3,(H,17,18)/t11-,12?,13+,14-/m1/s1
InChIKey KQWBWFOORNOSRM-NIWMIYJQSA-N
SMILES O=C(O)C(CCC=C([C@@H]1C[C@@H](O)[C@H](C)CC1)C)C
Metabolite of Species Details
Inonotus rickii (NCBI:txid184120) See: PubMed
ChEBI Ontology
Outgoing Inonotic acid B (CHEBI:204029) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
6-[(1S,3R,4R)-3-hydroxy-4-methylcyclohexyl]-2-methylhept-5-enoic acid
Manual Xref Database
78440978 ChemSpider
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