(1S,2S,3R,7S,8S,10S,13S)-2-hydroxy-8-methoxy-5,5,8-trimethyl-12,14-dioxatetracyclo[8.4.0.01,13.03,7]tetradecan-11-one (CHEBI:227211)

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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	(1S,2S,3R,7S,8S,10S,13S)-2-hydroxy-8-methoxy-5,5,8-trimethyl-12,14-dioxatetracyclo[8.4.0.01,13.03,7]tetradecan-11-one

ChEBI ID	CHEBI:227211

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

Submitter	MetaboLights

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Download	Molfile XML SDF

Formula

C16H24O5

Net Charge

Average Mass

296.363

Monoisotopic Mass

296.16237

InChI

InChI=1S/C16H24O5/c1-14(2)5-8-9(6-14)15(3,19-4)7-10-12(18)20-13-16(10,21-13)11(8)17/h8-11,13,17H,5-7H2,1-4H3/t8-,9+,10-,11+,13-,15+,16+/m1/s1

InChIKey

HEQZAWNQIOCEOD-LOTHLEOLSA-N

SMILES

O=C1O[C@@H]2O[C@@]32[C@@H]1C[C@](OC)([C@H]4CC(C[C@H]4[C@@H]3O)(C)C)C

Metabolite of Species	Details
Russula emetica (NCBI:txid152958)	See: DOI

ChEBI Ontology
Outgoing	(1S,2S,3R,7S,8S,10S,13S)-2-hydroxy-8-methoxy-5,5,8-trimethyl-12,14-dioxatetracyclo[8.4.0.01,13.03,7]tetradecan-11-one (CHEBI:227211) is a carbonyl compound (CHEBI:36586) (1S,2S,3R,7S,8S,10S,13S)-2-hydroxy-8-methoxy-5,5,8-trimethyl-12,14-dioxatetracyclo[8.4.0.01,13.03,7]tetradecan-11-one (CHEBI:227211) is a epoxide (CHEBI:32955)

IUPAC Name

(1S,2S,3R,7S,8S,10S,13S)-2-hydroxy-8-methoxy-5,5,8-trimethyl-12,14-dioxatetracyclo[8.4.0.01,13.03,7]tetradecan-11-one