input word = C00038450

Metabolite InformationStructural formula
Name Ancorinoside B
(+)-Ancorinoside B
Formula C41H69NO17
Mw 847.45654979
CAS RN 334519-25-4
C_ID C00038450 ,
InChIKey CJFCEPSLGAUQNN-YLXSVIHFNA-N
InChICode InChI=1S/C41H69NO17/c1-42-25(23-28(45)46)30(47)29(38(42)53)26(44)21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-56-40-35(52)33(50)36(37(59-40)39(54)55)58-41-34(51)32(49)31(48)27(24-43)57-41/h25,27,31-37,40-41,43-44,48-52H,2-24H2,1H3,(H,45,46)(H,54,55)/b29-26+/t25-,27-,31-,32+,33+,34-,35-,36+,37+,40-,41+/m1/s1
SMILES O1[C@H]([C@@H]([C@@H]([C@@H]([C@H]1C(=O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O)OCCCCCCCCCCCCCCCCCCCCC/C(=C/1\C(=O)N([C@@H](C1=O)CC(=O)O)C)/O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--Penares sollasi Ref.
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