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CHEBI:227211 - (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

Default Structure
ChEBI IDCHEBI:227211
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
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O5
Net Charge0
Average Mass296.363
Monoisotopic Mass296.16237
SMILESCO[C@@]1(C)C[C@@H]2C(=O)O[C@@H]3O[C@@]32[C@@H](O)[C@@H]2CC(C)(C)C[C@@H]21
InChIInChI=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
InChIKeyHEQZAWNQIOCEOD-LOTHLEOLSA-N
Species of MetaboliteComponentSourceComments
Russula emetica (ncbitaxon:152958) - DOI (10.1271/bbb.59.316)
ChEBI Ontology
Outgoing Relation(s)
(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
Manual XrefsDatabases
78437828ChemSpider