EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:67356 - vandateroside III, (-)-

ChEBI IDCHEBI:67356
ChEBI Namevandateroside III, (-)-
Stars
DefinitionA natural product found in Vanda teres.
Last Modified22 September 2014
DownloadsMolfile
FormulaC52H60O24
Net Charge0
Average Mass1069.028
Monoisotopic Mass1068.34745
SMILES[H][C@@]1(O[C@@](CC(=O)OCc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)(Cc2ccc(O)cc2)C(=O)OCc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)O[C@H](CO)[C@@H](O)[C@H](OC(=O)/C=C/c2ccccc2)[C@H]1O
InChIInChI=1S/C52H60O24/c53-22-34-39(59)42(62)44(64)48(72-34)70-32-15-8-29(9-16-32)25-68-38(58)21-52(20-28-6-13-31(56)14-7-28,51(67)69-26-30-10-17-33(18-11-30)71-49-45(65)43(63)40(60)35(23-54)73-49)76-50-46(66)47(41(61)36(24-55)74-50)75-37(57)19-12-27-4-2-1-3-5-27/h1-19,34-36,39-50,53-56,59-66H,20-26H2/b19-12+/t34-,35-,36-,39-,40-,41-,42+,43+,44-,45-,46-,47+,48-,49-,50+,52-/m1/s1
InChIKeyGKTDZITZKLTZSI-MYANAVBLSA-N
Species of MetaboliteComponentSourceComments
Vanda teres (ncbitaxon:339107)
stem (BTO:0001300) PubMed (21510636) Methanolic extract of dried stems
leaf (BTO:0000713) PubMed (21510636) Methanolic extract of dried stems
root (BTO:0001188) PubMed (21510636) Methanolic extract of dried stems
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)
vandateroside III, (-)- (CHEBI:67356) has role metabolite (CHEBI:25212)
vandateroside III, (-)- (CHEBI:67356) is a O-acyl carbohydrate (CHEBI:52782)
Synonyms  Source
(-)-1,4-bis(4',4''-beta-D-glucopyranosyloxybenzyl)-2-(beta-D-glucopyranosyl-3-trans-cinnamyl ester)eucomateChEBI
(-)-1,4-bis(4',4''-beta-D-glucopyranosyloxybenzyl)-2-(beta-D-glucopyranosyl-3-trans-cinnamyl ester)-2-(p-hydroxybenzyl)-malateChEBI
Citations