3b-Hydroxy-6b-angeloyloxy-7(11)-eremophilen-12,8b-olide (CHEBI:175442)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	3b-Hydroxy-6b-angeloyloxy-7(11)-eremophilen-12,8b-olide

ChEBI ID	CHEBI:175442

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H28O5

Net Charge

Average Mass

348.439

Monoisotopic Mass

348.19367

InChI

InChI=1S/C20H28O5/c1-6-10(2)18(22)25-17-16-11(3)19(23)24-15(16)9-13-7-8-14(21)12(4)20(13,17)5/h6,12-15,17,21H,7-9H2,1-5H3/b10-6-

InChIKey

VHVVIDFLXPOQAK-POHAHGRESA-N

SMILES

O(C1C2(C(CC3OC(=O)C(=C13)C)CCC(O)C2C)C)C(=O)/C(/C)=C\C

ChEBI Ontology
Outgoing	3b-Hydroxy-6b-angeloyloxy-7(11)-eremophilen-12,8b-olide (CHEBI:175442) is a terpene lactone (CHEBI:37668)

IUPAC Name

(6-hydroxy-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,8a,9,9a-octahydrobenzo[][1]benzouran-4-yl) (Z)-2-methylbut-2-enoate