EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C29H36O15 |
| Net Charge | 0 |
| Average Mass | 624.592 |
| Monoisotopic Mass | 624.20542 |
| SMILES | [H][C@@]1(O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |
| InChI | InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1 |
| InChIKey | FBSKJMQYURKNSU-ZLSOWSIRSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| acetoside (CHEBI:748958) is a hydroxycinnamic acid (CHEBI:24689) |
| Synonyms | Source |
|---|---|
| Acetoside | ChEMBL |
| Verbacoside | ChEMBL |
| Citations |
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