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CHEBI:68944 - rel-(2R,5S,7R,10S)-7-Hydroperoxy-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]-10-methyl-6-methylenespiro[4.5]-decane

ChEBI IDCHEBI:68944
ChEBI Namerel-(2R,5S,7R,10S)-7-Hydroperoxy-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]-10-methyl-6-methylenespiro[4.5]-decane
Stars
DefinitionA natural product found in Carthamus oxyacantha.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H36O7
Net Charge0
Average Mass400.512
Monoisotopic Mass400.24610
SMILESC=C1[C@H](OO)CC[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/C21H36O7/c1-11-6-7-15(28-25)12(2)21(11)9-8-14(10-21)20(4,5)27-19-18(24)17(23)16(22)13(3)26-19/h11,13-19,22-25H,2,6-10H2,1,3-5H3/t11-,13+,14+,15+,16-,17-,18+,19-,21-/m0/s1
InChIKeyWXLVRXBQCVFTIV-MBAINBPKSA-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,7R,10S)-7-Hydroperoxy-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]-10-methyl-6-methylenespiro[4.5]-decane (CHEBI:68944) has role metabolite (CHEBI:25212)
rel-(2R,5S,7R,10S)-7-Hydroperoxy-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]-10-methyl-6-methylenespiro[4.5]-decane (CHEBI:68944) is a terpene glycoside (CHEBI:61777)
Citations