EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:80396 - (-)-Maackiain-3-O-glucosyl-6''-O-malonate
| Formula | C25H24O13 |
| Net Charge | 0 |
| Average Mass | 532.454 |
| Monoisotopic Mass | 532.12169 |
| SMILES | [H][C@@]12COc3cc(O[C@@H]4O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]4O)ccc3[C@]1([H])Oc1cc3c(cc12)OCO3 |
| InChI | InChI=1S/C25H24O13/c26-19(27)6-20(28)33-8-18-21(29)22(30)23(31)25(38-18)36-10-1-2-11-14(3-10)32-7-13-12-4-16-17(35-9-34-16)5-15(12)37-24(11)13/h1-5,13,18,21-25,29-31H,6-9H2,(H,26,27)/t13-,18+,21+,22-,23+,24-,25+/m0/s1 |
| InChIKey | ZHXRWFOBROFZAC-LVYGOKBNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (-)-Maackiain-3-O-glucosyl-6''-O-malonate (CHEBI:80396) is a pterocarpans (CHEBI:26377) |