input word = C00044876

Metabolite InformationStructural formula
Name Leupyrrin D
Formula C40H54N2O10
Mw 722.37784596
CAS RN 618911-35-6
C_ID C00044876 ,
InChIKey ODGIZTYDFSNPEL-BVVGETRBNA-N
InChICode InChI=1S/C40H54N2O10/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/h10,12-13,17-18,22-23,31-33,35-36,41,43-44H,8-9,11,14-16,19-21H2,1-7H3/b25-10+,26-17+,28-18-,29-24+/t31-,32+,33+,35+,36-,40-/m1/s1
SMILES C/C(CCCO)=C1/COC(CC(C)C)/C1=CC1N=C2OC1COC(=O)/C(CC(C)C)=C/C(=O)OC1C(OC(=O)C1(C)CO)/C(C)=C/Cc1ccc2[nH]1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro Secologanin
Organism
Kingdom Family Species Reference
--Sorangium cellulosum Ref.
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