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CHEBI:68939 - Tracheloside

ChEBI IDCHEBI:68939
ChEBI NameTracheloside
Stars
DefinitionA natural product found particularly in Carthamus tinctorius and Trachelospermum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC27H34O12
Net Charge0
Average Mass550.557
Monoisotopic Mass550.20503
SMILESCOc1ccc(C[C@H]2COC(=O)[C@]2(O)Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
InChIInChI=1S/C27H34O12/c1-34-17-6-4-14(9-19(17)35-2)8-16-13-37-26(32)27(16,33)11-15-5-7-18(20(10-15)36-3)38-25-24(31)23(30)22(29)21(12-28)39-25/h4-7,9-10,16,21-25,28-31,33H,8,11-13H2,1-3H3/t16-,21+,22+,23-,24+,25+,27-/m0/s1
InChIKeyLWYAMIUSVGPFKS-CGLYQLBNSA-N
Species of MetaboliteComponentSourceComments
Carthamus oxyacantha (ncbitaxon:122010) aerial part (BTO:0001658) PubMed (22060189) Crude ethanolic extract of aerial parts
Carthamus tinctorius (ncbitaxon:4222) - PubMed (22060189)
Trachelospermum (ncbitaxon:69388) - PubMed (22060189)
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)
Tracheloside (CHEBI:68939) has role metabolite (CHEBI:25212)
Tracheloside (CHEBI:68939) is a glycoside (CHEBI:24400)
Tracheloside (CHEBI:68939) is a lignan (CHEBI:25036)
Synonym  Source
2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)-3-((4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl)methyl)dihydro-3-hydroxy-, (3S-cis)-ChEBI
Registry NumbersSources
CAS:33464-71-0ChemIDplus
Citations