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CHEBI:27831 - scillaren A
| Formula | C36H52O13 |
| Net Charge | 0 |
| Average Mass | 692.799 |
| Monoisotopic Mass | 692.34079 |
| SMILES | [H][C@]12CC[C@@]3(C)[C@](O)(CC[C@]3([H])c3ccc(=O)oc3)[C@]1([H])CCC1=C[C@@H](O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)CC[C@@]12C |
| InChI | InChI=1S/C36H52O13/c1-17-31(49-33-29(42)27(40)26(39)24(15-37)48-33)28(41)30(43)32(46-17)47-20-8-11-34(2)19(14-20)5-6-23-22(34)9-12-35(3)21(10-13-36(23,35)44)18-4-7-25(38)45-16-18/h4,7,14,16-17,20-24,26-33,37,39-44H,5-6,8-13,15H2,1-3H3/t17-,20-,21+,22-,23+,24+,26+,27-,28-,29+,30+,31-,32-,33-,34-,35+,36-/m0/s1 |
| InChIKey | NXJOCELNFPGKIV-ARHXXGKOSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| scillaren A (CHEBI:27831) has functional parent scillarenin (CHEBI:38248) |
| scillaren A (CHEBI:27831) is a 14β-hydroxy steroid (CHEBI:36862) |
| scillaren A (CHEBI:27831) is a disaccharide derivative (CHEBI:63353) |
| scillaren A (CHEBI:27831) is a glycoside (CHEBI:24400) |
| Synonyms | Source |
|---|---|
| Scillaren A | KEGG COMPOUND |
| Scillarenin 3-O-glucosylrhamnoside | KEGG COMPOUND |
| 3β-(6-deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosyloxy)-14-hydroxybufa-4,20,22-trienolide | ChEBI |
| Glucoproscillaridin A | ChEBI |
| Transvaalin | ChemIDplus |