input word = C00044871

Metabolite InformationStructural formula
Name Leupyrrin A1
(+)-Leupyrrin A1
Formula C41H58N2O10
Mw 738.40914609
CAS RN 618911-30-1
C_ID C00044871 ,
InChIKey KPUUXWUEEITCMH-KEJJDKAENA-N
InChICode InChI=1S/C41H58N2O10/c1-23(2)16-27-18-35(45)52-37-36(53-40(47)41(37,7)22-44)26(6)11-12-28-13-14-31(42-28)38-43-32(34(51-38)21-50-39(27)46)19-29-30(25(5)10-9-15-48-8)20-49-33(29)17-24(3)4/h11,13-14,19,23-24,27,32-34,36-37,42,44H,9-10,12,15-18,20-22H2,1-8H3/b26-11+,29-19-,30-25+/t27-,32-,33-,34-,36+,37-,41+/m0/s1
SMILES COCCC/C(C)=C1COC(CC(C)C)C1=C/C1N=C2OC1COC(=O)[C@@H](CC(C)C)CC(=O)OC1C(OC(=O)C1(C)CO)/C(C)=C/Cc1ccc2[nH]1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro L-Lys Secologanin
Organism
Kingdom Family Species Reference
--Sorangium cellulosum Ref.
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