| Name |
Citbismine D |
| Formula |
C40H38N2O11 |
| Mw |
722.24756007 |
| CAS RN |
173429-81-7 |
| C_ID |
C00052238
|
| InChIKey |
YDFOOKXFYDNPMQ-MGPFPDDXSA-N |
| InChICode |
InChI=1S/C40H38N2O11/c1-39(2)14-13-18-28-27(33(47)17-10-12-19(43)36(50-7)29(17)41(28)5)34(48)26(35(18)53-39)25-24-22(52-38(25)40(3,4)49)15-21(45)23-31(24)42(6)30-16(32(23)46)9-11-20(44)37(30)51-8/h9-15,25,38,43-45,48-49H,1-8H3/t25-,38+/m1/s1 |
| SMILES |
OC1=C2C(C3=C(N(C)C2=C(C=CC(C)(C)O4)C4=C1[C@]5([H])[C@@H](C(C)(O)C)OC6=C5C(N(C)C7=C(OC)C(O)=CC=C7C8=O)=C8C(O)=C6)C(OC)=C(O)C=C3)=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rutaceae | Citrus paradisi  | Ref. |
|
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