| Name |
Calamin |
| Formula |
C27H36O10 |
| Mw |
520.23084737 |
| CAS RN |
74751-40-9 |
| C_ID |
C00054182
|
| InChIKey |
DQSNUOLMAKKASD-QTSMKSROSA-N |
| InChICode |
InChI=1S/C27H36O10/c1-23(2,33)18-17(30)19(31)26(5)14(25(18,4)15(28)11-16(29)34-6)7-9-24(3)20(13-8-10-35-12-13)36-22(32)21-27(24,26)37-21/h8,10,12,14-15,18-21,28,31,33H,7,9,11H2,1-6H3/t14-,15?,18+,19?,20+,21-,24+,25+,26+,27-/m1/s1 |
| SMILES |
OC(CC(OC)=O)[C@@]([C@](CC1)([H])[C@](C2O)(C)[C@@]([C@]1(C)[C@@](C3=COC=C3)([H])O4)(O5)[C@@]5([H])C4=O)(C)[C@H](C(C)(O)C)C2=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rutaceae | Citrus reticulata  | Ref. |
|
|
zoom in
|
