| Name |
Citrusin IV |
| Formula |
C41H55N9O14 |
| Mw |
897.38684753 |
| CAS RN |
139626-31-6 |
| C_ID |
C00054933
|
| InChIKey |
BZZYMYLXSCBOFH-JMVWUBCXSA-N |
| InChICode |
InChI=1S/C41H55N9O14/c1-20(2)34-41(64)50-16-6-9-29(50)40(63)47-26(11-14-32(54)55)37(60)44-21(3)35(58)46-27(12-15-33(56)57)38(61)48-28(17-22-18-42-24-8-5-4-7-23(22)24)36(59)43-19-30(51)45-25(39(62)49-34)10-13-31(52)53/h4-5,7-8,18,20-21,25-29,34,42H,6,9-17,19H2,1-3H3,(H,43,59)(H,44,60)(H,45,51)(H,46,58)(H,47,63)(H,48,61)(H,49,62)(H,52,53)(H,54,55)(H,56,57)/t21-,25-,26-,27-,28-,29-,34-/m0/s1 |
| SMILES |
O=C([C@H](C)NC([C@H](CCC(O)=O)NC([C@@](CCC1)([H])N1C([C@H](C(C)C)NC([C@H](CCC(O)=O)NC(CNC2=O)=O)=O)=O)=O)=O)N[C@@H](CCC(O)=O)C(N[C@H]2CC3=CNC4=C3C=CC=C4)=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rutaceae | Citrus sinensis  | Ref. |
|
|
zoom in
| Organism | Citrus sinensis |
|---|
| Reference | Matsubara, Y. et al., Agric. Biol. Chem., 1991, 55, 2923 (isol, pmr, cmr, ms) |
|---|
|
