| Name |
Calamin 17-beta-D-glucopyranoside |
| Formula |
C33H48O16 |
| Mw |
700.29423549 |
| CAS RN |
141361-40-2 |
| C_ID |
C00054183
|
| InChIKey |
FNBAMHVAVKYVOE-UHFFFAOYSA-N |
| InChICode |
InChI=1S/C33H48O16/c1-29(2,44)23-22(40)24(41)32(5)16(31(23,4)17(35)11-18(36)45-6)7-9-30(3,33(32)26(49-33)27(42)43)25(14-8-10-46-13-14)48-28-21(39)20(38)19(37)15(12-34)47-28/h8,10,13,15-17,19-21,23-26,28,34-35,37-39,41,44H,7,9,11-12H2,1-6H3,(H,42,43) |
| SMILES |
CC(C12OC2C(O)=O)(C(OC3C(O)C(O)C(O)C(CO)O3)C4=COC=C4)CCC(C1(C)C5O)C(C(O)CC(OC)=O)(C)C(C(C)(C)O)C5=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rutaceae | Citrus reticulata  | Ref. |
|
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