Inonotic acid A (CHEBI:201587)

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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 A

ChEBI ID	CHEBI:201587

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H26O4

Net Charge

Average Mass

270.369

Monoisotopic Mass

270.18311

InChI

InChI=1S/C15H26O4/c1-10(5-4-6-11(2)14(17)18)12-7-8-15(3,19)13(16)9-12/h5,11-13,16,19H,4,6-9H2,1-3H3,(H,17,18)/t11?,12-,13-,15+/m0/s1

InChIKey

AOEJTISCDPEQDI-ZBVJJQAHSA-N

SMILES

O=C(O)C(CCC=C([C@@H]1C[C@H](O)[C@@](O)(C)CC1)C)C

Metabolite of Species	Details
Inonotus rickii (NCBI:txid184120)	See: PubMed

ChEBI Ontology
Outgoing	Inonotic acid A (CHEBI:201587) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name

6-[(1S,3S,4R)-3,4-dihydroxy-4-methylcyclohexyl]-2-methylhept-5-enoic acid