CHEBI:67356 - vandateroside III, (-)-

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ChEBI Name vandateroside III, (-)-
ChEBI ID CHEBI:67356
Definition A natural product found in Vanda teres.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C52H60O24
Net Charge 0
Average Mass 1069.01840
Monoisotopic Mass 1068.34745
InChI InChI=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
InChIKey GKTDZITZKLTZSI-MYANAVBLSA-N
SMILES [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](OC(=O)\C=C\c2ccccc2)[C@H]1O)O[C@@](CC(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)(Cc1ccc(O)cc1)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Metabolite of Species Details
Vanda teres (NCBI:txid339107) Found in root (BTO:0001188). Methanolic extract of dried stems See: PubMed
Vanda teres (NCBI:txid339107) Found in leaf (BTO:0000713). Methanolic extract of dried stems See: PubMed
Vanda teres (NCBI:txid339107) Found in stem (BTO:0001300). Methanolic extract of dried stems 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 vandateroside III, (-)- (CHEBI:67356) has role metabolite (CHEBI:25212)
vandateroside III, (-)- (CHEBI:67356) is a O-acyl carbohydrate (CHEBI:52782)
Synonyms Sources
(-)-1,4-bis(4',4''-beta-D-glucopyranosyloxybenzyl)-2-(beta-D-glucopyranosyl-3-trans-cinnamyl ester)-2-(p-hydroxybenzyl)-malate ChEBI
(-)-1,4-bis(4',4''-beta-D-glucopyranosyloxybenzyl)-2-(beta-D-glucopyranosyl-3-trans-cinnamyl ester)eucomate ChEBI
Citation Waiting for Citations Type Source
21510636 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:cinnamate ester(CHEBI:36087); ISA:disaccharide(CHEBI:36233); ISA:glycoside(CHEBI:24400); ISA:carboxylic ester(CHEBI:33308); HFP:benzyl alcohol(CHEBI:17987); ISA:olefinic compound(CHEBI:78840); ISA:benzyl ether(CHEBI:59859); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic ether(CHEBI:35618); ISA:styrenes(CHEBI:26799); ISA:phenols(CHEBI:33853); ISA:fatty acid ester(CHEBI:35748); ISA:dicarboxylic acid(CHEBI:35692); ISA:oxanes(CHEBI:46942); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:acetal(CHEBI:59769); ISA:organonitrogen compound(CHEBI:35352); ISA:aromatic alcohol(CHEBI:33854); ISA:primary alcohol(CHEBI:15734);