input word = C00044875

Metabolite InformationStructural formula
Name Leupyrrin C
Formula C40H56N2O10
Mw 724.39349602
CAS RN 618911-34-5
C_ID C00044875 ,
InChIKey XLXHKRNRAZZHCX-ITZKEPMANA-N
InChICode InChI=1S/C40H56N2O10/c1-22(2)15-26-17-34(45)51-36-35(52-39(47)40(36,7)21-44)25(6)10-11-27-12-13-30(41-27)37-42-31(33(50-37)20-49-38(26)46)18-28-29(24(5)9-8-14-43)19-48-32(28)16-23(3)4/h10,12-13,18,22-23,26,31-33,35-36,41,43-44H,8-9,11,14-17,19-21H2,1-7H3/b25-10+,28-18-,29-24+/t26-,31-,32+,33-,35-,36+,40-/m0/s1
SMILES O1C(=O)[C@]([C@H]2[C@@H]1/C(=C/Cc1ccc([nH]1)C1=N[C@H]([C@@H](O1)COC(=O)[C@@H](CC(C)C)CC(=O)O2)/C=C/1\[C@H](OC\C1=C(\C)/CCCO)CC(C)C)/C)(CO)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro Secologanin
Organism
Kingdom Family Species Reference
--Sorangium cellulosum Ref.
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