EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C33H40O18 |
| Net Charge | 0 |
| Average Mass | 724.665 |
| Monoisotopic Mass | 724.22146 |
| SMILES | CC1OC(Oc2cc(O)c3c(=O)c(OC4OC(C)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1O |
| InChI | InChI=1S/C33H40O18/c1-10-19(36)22(39)25(42)31(45-10)48-15-8-16(35)18-17(9-15)49-29(13-4-6-14(34)7-5-13)30(21(18)38)51-33-27(44)24(41)28(12(3)47-33)50-32-26(43)23(40)20(37)11(2)46-32/h4-12,19-20,22-28,31-37,39-44H,1-3H3 |
| InChIKey | NLJNYZLJCNVCNR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Kaempferol-3-Rhamnoside-4''-Rhamnoside-7-Rhamnoside (CHEBI:177076) is a flavonoids (CHEBI:72544) |
| Kaempferol-3-Rhamnoside-4''-Rhamnoside-7-Rhamnoside (CHEBI:177076) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| 3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one |
| Manual Xrefs | Databases |
|---|---|
| 24608093 | ChemSpider |