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CHEBI:5985 - Isobetanin
| Formula | C24H26N2O13 |
| Net Charge | 0 |
| Average Mass | 550.473 |
| Monoisotopic Mass | 550.14349 |
| SMILES | O=C(O)C1=C/C(=C/C=[N+]2/c3cc(O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3C[C@H]2C(=O)[O-])C[C@H](C(=O)O)N1 |
| InChI | InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)/t12-,14+,17-,18-,19+,20-,24-/m1/s1 |
| InChIKey | DHHFDKNIEVKVKS-RYGANQNKSA-N |
| 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) |
| Isobetanin (CHEBI:5985) has functional parent betanidin (CHEBI:3079) |
| Isobetanin (CHEBI:5985) is a betalain (CHEBI:22861) |
| Isobetanin (CHEBI:5985) is a glycoside (CHEBI:24400) |
| Synonym | Source |
|---|---|
| Isobetanin | KEGG COMPOUND |