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CHEBI:3530 - Celosianin II
| Formula | C40H42N2O22 |
| Net Charge | 0 |
| Average Mass | 902.768 |
| Monoisotopic Mass | 902.22292 |
| SMILES | COc1cc(/C=C/C(=O)O[C@H]2[C@H](O[C@H]3[C@H](Oc4cc5c(cc4O)/[N+](=C/C=C4/C=C(C(=O)O)N[C@H](C(=O)O)C4)[C@H](C(=O)[O-])C5)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)ccc1O |
| InChI | InChI=1S/C40H42N2O22/c1-59-24-10-15(2-4-22(24)44)3-5-27(46)62-33-31(50)30(49)32(38(57)58)63-40(33)64-34-29(48)28(47)26(14-43)61-39(34)60-25-12-17-11-21(37(55)56)42(20(17)13-23(25)45)7-6-16-8-18(35(51)52)41-19(9-16)36(53)54/h2-8,10,12-13,19,21,26,28-34,39-40,43,47-50H,9,11,14H2,1H3,(H6,44,45,46,51,52,53,54,55,56,57,58)/t19-,21-,26+,28+,29-,30-,31-,32-,33+,34+,39+,40-/m0/s1 |
| InChIKey | MPMOZJNSLITZSA-VSOFAJKKSA-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) |
| Celosianin II (CHEBI:3530) has functional parent betanidin (CHEBI:3079) |
| Celosianin II (CHEBI:3530) is a betalain (CHEBI:22861) |
| Celosianin II (CHEBI:3530) is a glycoside (CHEBI:24400) |
| Synonym | Source |
|---|---|
| Celosianin II | KEGG COMPOUND |