EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C37H44O18 |
| Net Charge | 0 |
| Average Mass | 776.741 |
| Monoisotopic Mass | 776.25276 |
| SMILES | O=C(C[C@](O)(Cc1ccc(O)cc1)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |
| InChI | InChI=1S/C37H44O18/c38-15-25-28(42)30(44)32(46)34(54-25)52-23-9-3-20(4-10-23)17-50-27(41)14-37(49,13-19-1-7-22(40)8-2-19)36(48)51-18-21-5-11-24(12-6-21)53-35-33(47)31(45)29(43)26(16-39)55-35/h1-12,25-26,28-35,38-40,42-47,49H,13-18H2/t25-,26-,28-,29-,30+,31+,32-,33-,34-,35-,37-/m1/s1 |
| InChIKey | DGKISHSPYWCSLM-VODBULHWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Vanda teres (ncbitaxon:339107) | |||
| stem (BTO:0001300) | PubMed (21510636) | Methanolic extract of dried stems | |
| root (BTO:0001188) | PubMed (21510636) | Methanolic extract of dried stems | |
| leaf (BTO:0000713) | 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 II, (-)- (CHEBI:67355) has role metabolite (CHEBI:25212) |
| vandateroside II, (-)- (CHEBI:67355) is a glycoside (CHEBI:24400) |
| Synonyms | Source |
|---|---|
| (-)-1,4-bis(4',4''-beta-D-glucopyranosyloxybenzyl)eucomate | ChEBI |
| (-)-1,4-bis(4',4''-beta-D-glucopyranosyloxybenzyl)-2-(p-hydroxybenzyl)malate | ChEBI |
| Bis[4-(beta-D-glucopyranosyloxy)benzyl] (2R)-2-hydroxy-2-(4-hydroxybenzyl)succinate | ChEBI |
| Citations |
|---|