CHEBI:68939 - Tracheloside

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ChEBI Name Tracheloside
ChEBI ID CHEBI:68939
Definition A natural product found particularly in Carthamus tinctorius and Trachelospermum.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H34O12
Net Charge 0
Average Mass 550.55170
Monoisotopic Mass 550.205
InChI InChI=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
InChIKey LWYAMIUSVGPFKS-CGLYQLBNSA-N
SMILES COc1ccc(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
Metabolite of Species Details
Carthamus oxyacantha (NCBI:122010) Found in aerial part (BTO:0001658). Crude ethanolic extract of aerial parts See: PubMed
Carthamus tinctorius (NCBI:4222) See: PubMed
Trachelospermum (NCBI:69388) 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
33464-71-0 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
22060189 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:lignan(CHEBI:25036); ISA:lactone(CHEBI:25000); ISA:O-acyl carbohydrate(CHEBI:52782); ISA:glycoside(CHEBI:24400); ISA:disaccharide(CHEBI:36233); ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:gamma-lactone(CHEBI:37581); ISA:oxanes(CHEBI:46942); ISA:tertiary alcohol(CHEBI:26878); ISA:oxolanes(CHEBI:26912); ISA:polyol(CHEBI:26191); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:acetal(CHEBI:59769); ISA:monocarboxylic acid(CHEBI:25384); ISA:primary alcohol(CHEBI:15734); ISA:carbonyl compound(CHEBI:36586);