input word = C00043831

Metabolite InformationStructural formula
Name Polygonatoside B
Formula C45H70O20
Mw 930.44604468
CAS RN 824950-61-0
C_ID C00043831 ,
InChIKey ZIMQWKHPEVYWCD-UTRPLKDWNA-N
InChICode InChI=1S/C45H70O20/c1-18-30-25(65-45(18)9-6-19(17-59-45)16-58-40-36(55)33(52)31(50)26(13-46)61-40)11-24-22-5-4-20-10-21(7-8-43(20,2)23(22)12-29(49)44(24,30)3)60-41-38(57)35(54)39(28(15-48)63-41)64-42-37(56)34(53)32(51)27(14-47)62-42/h4,18-19,21-28,30-42,46-48,50-57H,5-17H2,1-3H3/t18-,19-,21-,22+,23-,24-,25-,26+,27+,28+,30-,31+,32+,33-,34-,35-,36+,37+,38+,39-,40-,41+,42-,43-,44+,45+/m0/s1
SMILES C1[C@H]2[C@H]([C@H]3[C@](C1=O)([C@@H]1[C@H](C3)O[C@]3([C@H]1C)OC[C@H](CO[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)CC3)C)CC=C1[C@@]2(CC[C@@H](C1)O[C@@H]1O[C@@H]([C@@H]([C@H]([C@H]1O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvallariaceaePolygonatum zanlanscianense Ref.
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