| Name |
Citbismine E |
| Formula |
C36H34N2O11 |
| Mw |
670.21625994 |
| CAS RN |
173429-82-8 |
| C_ID |
C00052239
|
| InChIKey |
CWDCMHOLSPPPAS-IJAHGLKVSA-N |
| InChICode |
InChI=1S/C36H34N2O11/c1-36(2,45)35-26(24-21(49-35)13-19(41)23-29(24)38(4)28-15(31(23)43)9-11-18(40)34(28)48-7)25-20(46-5)12-16-22(32(25)44)30(42)14-8-10-17(39)33(47-6)27(14)37(16)3/h8-13,26,35,39-41,44-45H,1-7H3/t26-,35+/m1/s1 |
| SMILES |
OC1=C2C(C3=C(N(C)C2=C([C@@](C4=C(OC)C=C(N(C)C5=C(OC)C(O)=CC=C5C6=O)C6=C4O)([H])[C@@H](C(C)(O)C)O7)C7=C1)C(OC)=C(O)C=C3)=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rutaceae | Citrus grandis  | Ref. |
| Plantae | Rutaceae | Citrus paradisi | Ref. |
|
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zoom in
| Organism | Citrus grandis |
|---|
| Reference | Takemura, Y. et al., Chem. Pharm. Bull., 1994, 42, 1548
1995, 43, 1340 (Citbismine A, Citbismine B, isol, uv, ir, pmr, cmr, ms, cryst struct) |
|---|
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