EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H32N2O10 |
| Net Charge | 0 |
| Average Mass | 544.557 |
| Monoisotopic Mass | 544.20570 |
| SMILES | [H][C@@]12COC3=Nc4cc5c(c(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c4[C@@]34C[C@]1([H])N1C/C(=C\COC)[C@]2([H])C[C@]14[H])OCO5 |
| InChI | InChI=1S/C27H32N2O10/c1-34-3-2-11-7-29-15-6-27-18(29)4-12(11)13(15)9-35-26(27)28-14-5-16-23(37-10-36-16)24(19(14)27)39-25-22(33)21(32)20(31)17(8-30)38-25/h2,5,12-13,15,17-18,20-22,25,30-33H,3-4,6-10H2,1H3/b11-2+/t12-,13-,15-,17+,18-,20+,21-,22+,25-,27-/m0/s1 |
| InChIKey | ZXOASSJPZSDCOJ-JDVSSZFKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Gardneria ovata (ncbitaxon:84944) | aerial part (BTO:0001658) | PubMed (21425787) | 90% methanolic extract of air-dried and powdered aerial parts |
| 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) |
| 19-Z-Gardfloramine-9-O-beta-D-glucopyranoside, (rel)- (CHEBI:67507) has role metabolite (CHEBI:25212) |
| 19-Z-Gardfloramine-9-O-beta-D-glucopyranoside, (rel)- (CHEBI:67507) is a glycoside (CHEBI:24400) |
| Citations |
|---|