Capnodiumone (CHEBI:201824)

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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	Capnodiumone

ChEBI ID	CHEBI:201824

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H22O4

Net Charge

Average Mass

290.359

Monoisotopic Mass

290.15181

InChI

InChI=1S/C17H22O4/c1-8(2)11-7-17(5)9(3)14(20-10(4)18)16-15(21-16)12(17)6-13(11)19/h6,9,14-16H,7H2,1-5H3/t9-,14-,15+,16-,17+/m0/s1

InChIKey

MTKFYFUMRDWILS-LCSQBETGSA-N

SMILES

O=C1C(=C(C)C)C[C@@]2([C@H]([C@H](OC(=O)C)[C@H]3[C@@H](C2=C1)O3)C)C

Metabolite of Species	Details
Capnodiumspecies SZ-F22 (NCBI:txid1765959)	See: PubMed

ChEBI Ontology
Outgoing	Capnodiumone (CHEBI:201824) is a monoterpenoid (CHEBI:25409)

IUPAC Name

[(1aS,2S,3R,3aR,7bR)-3,3a-dimethyl-6-oxo-5-propan-2-ylidene-2,3,4,7b-tetrahydro-1aH-naphtho[1,2-b]oxiren-2-yl] acetate