input word = C00044874

Metabolite InformationStructural formula
Name Leupyrrin B2
(+)-Leupyrrin B2
Formula C41H54N2O10
Mw 734.37784596
CAS RN 618911-33-4
C_ID C00044874 ,
InChIKey SRCDTOUUBIJABY-GREQVZGHNA-N
InChICode InChI=1S/C41H54N2O10/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/h9-11,13-14,18-19,23-24,32-34,36-37,42,44H,12,15-17,20-22H2,1-8H3/b10-9+,26-11+,27-18+,29-19-,30-25+/t32-,33+,34+,36+,37-,41+/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(=C/C(=O)O2)/CC(C)C)/C=C/1\[C@H](OC\C1=C(/C)\C=C\COC)CC(C)C)/C)(CO)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Tyr Secologanin
Organism
Kingdom Family Species Reference
--Sorangium cellulosum Ref.
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