| Name |
Citrusin IX |
| Formula |
C38H56N8O8 |
| Mw |
752.42211082 |
| CAS RN |
618432-63-6 |
| C_ID |
C00054943
|
| InChIKey |
KPJRKUNETLDWFC-NVKAFBBPSA-N |
| InChICode |
InChI=1S/C38H56N8O8/c1-5-22(3)31-35(51)40-21-30(48)43-32(23(4)6-2)36(52)42-26(20-24-12-8-7-9-13-24)37(53)46-19-11-15-28(46)38(54)45-18-10-14-27(45)34(50)41-25(33(49)44-31)16-17-29(39)47/h7-9,12-13,22-23,25-28,31-32H,5-6,10-11,14-21H2,1-4H3,(H2,39,47)(H,40,51)(H,41,50)(H,42,52)(H,43,48)(H,44,49)/t22-,23-,25-,26-,27-,28-,31-,32-/m0/s1 |
| SMILES |
O=C(N(CCC1)[C@]1([H])C(N[C@@H](CCC(N)=O)C(N[C@]([C@@H](C)CC)([H])C(NC2)=O)=O)=O)[C@@]3([H])N(C([C@@H](NC([C@@]([C@@H](C)CC)([H])NC2=O)=O)CC4=CC=CC=C4)=O)CCC3 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rutaceae | Citrus sp.  | Ref. |
|
|
zoom in
| Organism | Citrus sp. |
|---|
| Reference | Matsumoto, T. et al., Tennen Yuki Kagobutsu Toronkai Koen Yoshishu, 2001, 43, 407-412 (isol, struct) |
|---|
|
