input word = C00030617

Metabolite InformationStructural formula
Name Kingianoside C
Formula C45H72O20
Mw 932.46169474
CAS RN 145854-04-2
C_ID C00030617 ,
InChIKey KQBLCRWJBXIFBJ-HNBNLERMNA-N
InChICode InChI=1S/C45H72O20/c1-18(17-59-40-36(55)33(52)31(50)26(14-46)61-40)7-10-45(58)19(2)30-25(65-45)12-24-22-6-5-20-11-21(8-9-43(20,3)23(22)13-29(49)44(24,30)4)60-41-38(57)35(54)39(28(16-48)63-41)64-42-37(56)34(53)32(51)27(15-47)62-42/h5,18-19,21-28,30-42,46-48,50-58H,6-17H2,1-4H3/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-/m1/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC(=O)[C@]1([C@H]3C[C@H]2[C@@H]1[C@@H]([C@](O2)(CC[C@H](CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)O)C)C)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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvallariaceaePolygonatum kingianum COLL.et HEMSL. Ref.
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