| Name |
Rutin trihydrate |
| Formula |
C27H36O19 |
| Mw |
664.18507897 |
| CAS RN |
250249-75-3 |
| C_ID |
C00061074
|
| InChIKey |
NLLBWFFSGHKUSY-JPRRWYCFSA-N |
| InChICode |
InChI=1S/C27H30O16.3H2O/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9;;;/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3;3*1H2/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-;;;/m0.../s1 |
| SMILES |
CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O.O.O.O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Salvia officinalis  | Ref. |
|
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