EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C31H42O18 |
| Net Charge | 0 |
| Average Mass | 702.659 |
| Monoisotopic Mass | 702.23711 |
| SMILES | [H][C@@]1(O[C@@H]2OC=C(C(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@@]3([H])C[C@H](OC(=O)/C=C/c4ccc(O)c(O)c4)[C@@H](C)[C@@]23[H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C31H42O18/c1-12-20(47-22(38)5-3-13-2-4-16(34)17(35)6-13)7-14-15(29(44)45-11-19(37)25(40)24(39)18(36)8-32)10-46-30(23(12)14)49-31-28(43)27(42)26(41)21(9-33)48-31/h2-6,10,12,14,18-21,23-28,30-37,39-43H,7-9,11H2,1H3/b5-3+/t12-,14-,18-,19-,20+,21-,23-,24-,25-,26-,27+,28-,30+,31+/m1/s1 |
| InChIKey | ZQSZAICEWGUNLB-JVPRIAKJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Veronica lavaudiana (ncbitaxon:124267) | - | PubMed (21568305) | MeOH extract of plant material |
| 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) |
| Lavaudioside A (CHEBI:69793) has role metabolite (CHEBI:25212) |
| Lavaudioside A (CHEBI:69793) is a terpene glycoside (CHEBI:61777) |
| Citations |
|---|