Eremopetasitenin C1 (CHEBI:175861)

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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	Eremopetasitenin C1

ChEBI ID	CHEBI:175861

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H30O6

Net Charge

Average Mass

378.465

Monoisotopic Mass

378.20424

InChI

InChI=1S/C21H30O6/c1-7-11(2)18(23)26-17-16-12(3)19(24)27-21(16,25-6)10-14-8-9-15(22)13(4)20(14,17)5/h7,13-15,17,22H,8-10H2,1-6H3/b11-7+

InChIKey

BMPRGPGLZWJNOP-YRNVUSSQSA-N

SMILES

O(C1C2(C(CC3(OC(=O)C(=C13)C)OC)CCC(O)C2C)C)C(=O)/C(/C)=C/C

ChEBI Ontology
Outgoing	Eremopetasitenin C1 (CHEBI:175861) is a terpene lactone (CHEBI:37668)

IUPAC Name

(6-hydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[][1]benzouran-4-yl) (E)-2-methylbut-2-enoate