(2S,5S,6S,9S)-5,9,13-Trimethyl-3-oxatricyclo[7.4.0.0<2,6>]trideca-1(13),10-die ne-4,12-dione (CHEBI:181267)

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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	(2S,5S,6S,9S)-5,9,13-Trimethyl-3-oxatricyclo[7.4.0.0<2,6>]trideca-1(13),10-die ne-4,12-dione

ChEBI ID	CHEBI:181267

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H18O3

Net Charge

Average Mass

246.306

Monoisotopic Mass

246.12559

InChI

InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8?,10?,13?,15-/m0/s1

InChIKey

XJHDMGJURBVLLE-KWCXHHIESA-N

SMILES

O1C2C(CC[C@@]3(C2=C(C(=O)C=C3)C)C)C(C1=O)C

ChEBI Ontology
Outgoing	(2S,5S,6S,9S)-5,9,13-Trimethyl-3-oxatricyclo[7.4.0.0<2,6>]trideca-1(13),10-die ne-4,12-dione (CHEBI:181267) is a sesquiterpene lactone (CHEBI:37667)

IUPAC Name

(5aS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzouran-2,8-dione