Hydroxyisonobilin (CHEBI:175649)

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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	Hydroxyisonobilin

ChEBI ID	CHEBI:175649

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H26O6

Net Charge

Average Mass

362.422

Monoisotopic Mass

362.17294

InChI

InChI=1S/C20H26O6/c1-6-10(2)19(23)25-16-7-11(3)14(21)9-15(22)12(4)8-17-18(16)13(5)20(24)26-17/h6,8,14-18,21-22H,3,5,7,9H2,1-2,4H3/b10-6+,12-8+

InChIKey

SDFKKMBWIQKUOQ-ANGAUAEMSA-N

SMILES

O1C2C(C(OC(=O)/C(/C)=C/C)CC(C(O)CC(O)C(=C2)C)=C)C(C1=O)=C

ChEBI Ontology
Outgoing	Hydroxyisonobilin (CHEBI:175649) is a terpene lactone (CHEBI:37668)

IUPAC Name

[(10E)-7,9-dihydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]uran-4-yl] (E)-2-methylbut-2-enoate