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CHEBI:8367 - Prebetanin
| Formula | C24H26N2O16S |
| Net Charge | 0 |
| Average Mass | 630.537 |
| Monoisotopic Mass | 630.10030 |
| SMILES | O=C(O)C1=C/C(=C/C=[N+]2/c3cc(O)c(O[C@@H]4O[C@H](COS(=O)(=O)[O-])[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/C24H26N2O16S/c27-15-7-13-10(6-16(15)41-24-20(30)19(29)18(28)17(42-24)8-40-43(37,38)39)5-14(23(35)36)26(13)2-1-9-3-11(21(31)32)25-12(4-9)22(33)34/h1-3,6-7,12,14,17-20,24,28-30H,4-5,8H2,(H5,27,31,32,33,34,35,36,37,38,39)/t12-,14+,17-,18-,19+,20-,24-/m1/s1 |
| InChIKey | OZXPZOHWSFDUDY-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) |
| Prebetanin (CHEBI:8367) has functional parent betanidin (CHEBI:3079) |
| Prebetanin (CHEBI:8367) is a betalain (CHEBI:22861) |
| Prebetanin (CHEBI:8367) is a glycoside (CHEBI:24400) |
| Synonym | Source |
|---|---|
| Prebetanin | KEGG COMPOUND |