input word = C00044873

Metabolite InformationStructural formula
Name Leupyrrin B1
(+)-Leupyrrin B1
Formula C41H56N2O10
Mw 736.39349602
CAS RN 618911-32-3
C_ID C00044873 ,
InChIKey LVCBUCRONSGDKJ-IZQVJZSSNA-N
InChICode InChI=1S/C41H56N2O10/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/h11,13-14,18-19,23-24,32-34,36-37,42,44H,9-10,12,15-17,20-22H2,1-8H3/b26-11+,27-18+,29-19-,30-25+/t32-,33+,34?,36+,37+,41+/m1/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)/CCCOC)CC(C)C)/C)(CO)C
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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