Ilicic acid (CHEBI:181639)

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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	Ilicic acid

ChEBI ID	CHEBI:181639

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H24O3

Net Charge

Average Mass

252.354

Monoisotopic Mass

252.17254

InChI

InChI=1S/C15H24O3/c1-10(13(16)17)11-5-8-14(2)6-4-7-15(3,18)12(14)9-11/h11-12,18H,1,4-9H2,2-3H3,(H,16,17)/t11-,12-,14-,15-/m1/s1

InChIKey

FXKCXGBBUBCRPU-QHSBEEBCSA-N

SMILES

O[C@]1([C@]2([C@@](CC[C@H](C2)C(C(O)=O)=C)(CCC1)C)[H])C

ChEBI Ontology
Outgoing	Ilicic acid (CHEBI:181639) is a eudesmane sesquiterpenoid (CHEBI:62508)

IUPAC Name

2-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid