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CHEBI:68941 - rel-(2R,5S,10S)-6,10-Dimethyl-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.5]dec-6-en-8-one

ChEBI IDCHEBI:68941
ChEBI Namerel-(2R,5S,10S)-6,10-Dimethyl-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.5]dec-6-en-8-one
Stars
DefinitionA natural product found in Carthamus oxyacantha.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H34O6
Net Charge0
Average Mass382.497
Monoisotopic Mass382.23554
SMILESCC1=CC(=O)C[C@H](C)[C@@]12CC[C@@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C2
InChIInChI=1S/C21H34O6/c1-11-8-15(22)9-12(2)21(11)7-6-14(10-21)20(4,5)27-19-18(25)17(24)16(23)13(3)26-19/h8,12-14,16-19,23-25H,6-7,9-10H2,1-5H3/t12-,13+,14+,16-,17-,18+,19-,21+/m0/s1
InChIKeyNZKKTOYUJIISMI-MJJIZMTJSA-N
Species of MetaboliteComponentSourceComments
Carthamus oxyacantha (ncbitaxon:122010) aerial part (BTO:0001658) PubMed (22060189) Crude ethanolic extract of aerial parts
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
rel-(2R,5S,10S)-6,10-Dimethyl-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.5]dec-6-en-8-one (CHEBI:68941) has role metabolite (CHEBI:25212)
rel-(2R,5S,10S)-6,10-Dimethyl-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.5]dec-6-en-8-one (CHEBI:68941) is a terpene glycoside (CHEBI:61777)
Citations