CHEBI:68945 - rel-(2R,5S,10S)-10-Methyl-6-methylene-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.5]decan-8-one

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ChEBI Name rel-(2R,5S,10S)-10-Methyl-6-methylene-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.5]decan-8-one
ChEBI ID CHEBI:68945
Definition A natural product found in Carthamus oxyacantha.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H34O6
Net Charge 0
Average Mass 382.49110
Monoisotopic Mass 382.23554
InChI InChI=1S/C21H34O6/c1-11-6-7-15(22)12(2)21(11)9-8-14(10-21)20(4,5)27-19-18(25)17(24)16(23)13(3)26-19/h11,13-14,16-19,23-25H,2,6-10H2,1,3-5H3/t11-,13+,14+,16-,17-,18+,19-,21-/m0/s1
InChIKey VLBDDAPSPVSZJW-ITEMWMEWSA-N
SMILES C[C@H]1O[C@@H](OC(C)(C)[C@@H]2CC[C@]3(C2)[C@@H](C)CCC(=O)C3=C)[C@H](O)[C@@H](O)[C@H]1O
Metabolite of Species Details
Carthamus oxyacantha (NCBI:txid122010) Found in aerial part (BTO:0001658). Crude ethanolic extract of aerial parts See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via rel-(2R,5S,10S)-10-Methyl-6-methylene-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.5]decan-8-one )
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ChEBI Ontology
Outgoing rel-(2R,5S,10S)-10-Methyl-6-methylene-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.5]decan-8-one (CHEBI:68945) has role metabolite (CHEBI:25212)
rel-(2R,5S,10S)-10-Methyl-6-methylene-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.5]decan-8-one (CHEBI:68945) is a terpene glycoside (CHEBI:61777)
Citation Waiting for Citations Type Source
22060189 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:sesquiterpenoid(CHEBI:26658); ISA:hexose(CHEBI:18133); ISA:glycoside(CHEBI:24400); ISA:cyclohexanones(CHEBI:23482); ISA:oxanes(CHEBI:46942); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:acetal(CHEBI:59769);