EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C34H34N2O16 |
| Net Charge | 0 |
| Average Mass | 726.644 |
| Monoisotopic Mass | 726.19083 |
| SMILES | COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](Oc3cc4c(cc3O)/[N+](=C/C=C3/C=C(C(=O)O)N[C@H](C(=O)O)C3)[C@H](C(=O)[O-])C4)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O |
| InChI | InChI=1S/C34H34N2O16/c1-49-24-10-15(2-4-22(24)37)3-5-27(39)50-14-26-28(40)29(41)30(42)34(52-26)51-25-12-17-11-21(33(47)48)36(20(17)13-23(25)38)7-6-16-8-18(31(43)44)35-19(9-16)32(45)46/h2-8,10,12-13,19,21,26,28-30,34,40-42H,9,11,14H2,1H3,(H5,37,38,39,43,44,45,46,47,48)/t19-,21-,26+,28+,29-,30+,34+/m0/s1 |
| InChIKey | BRMDRKOAVZEJCS-WPUGSIMNSA-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) |
| Lampranthin II (CHEBI:6368) has functional parent betanidin (CHEBI:3079) |
| Lampranthin II (CHEBI:6368) is a betalain (CHEBI:22861) |
| Lampranthin II (CHEBI:6368) is a glycoside (CHEBI:24400) |
| Synonym | Source |
|---|---|
| Lampranthin II | KEGG COMPOUND |