Name |
Citrusin X |
Formula |
C39H46N8O7 |
Mw |
738.34894588 |
CAS RN |
618432-64-7 |
C_ID |
C00054944
|
InChIKey |
POYYKUGPHZSHLA-XDIGFQIYSA-N |
InChICode |
InChI=1S/C39H46N8O7/c48-33-22-42-35(50)28(19-24-9-2-1-3-10-24)43-36(51)30-13-6-17-46(30)38(53)29(20-25-21-40-27-12-5-4-11-26(25)27)44-37(52)31-14-7-18-47(31)39(54)32-15-8-16-45(32)34(49)23-41-33/h1-5,9-12,21,28-32,40H,6-8,13-20,22-23H2,(H,41,48)(H,42,50)(H,43,51)(H,44,52)/t28-,29-,30-,31-,32-/m0/s1 |
SMILES |
O=C(N1[C@](CCC1)([H])C(N[C@H](C(N2[C@]([H])(C(N[C@H](C(NC3)=O)CC4=CC=CC=C4)=O)CCC2)=O)CC5=CNC6=C5C=CC=C6)=O)[C@@](CCC7)([H])N7C(CNC3=O)=O |
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) |
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