input word = C00058564

Metabolite InformationStructural formula
Name Kinginoside
Formula C32H40O16
Mw 680.23163523
CAS RN 155545-01-0
C_ID C00058564
InChIKey BIYWCNLMSAQZBZ-VRKPJWIPSA-N
InChICode InChI=1S/C32H40O16/c1-4-16-17-9-10-42-29(40)18(17)12-43-30(16)48-32-26(38)24(36)23(35)21(46-32)13-44-31-27(39)25(37)28(14(2)45-31)47-22(34)8-6-15-5-7-19(33)20(11-15)41-3/h4-8,11-12,14,16-17,21,23-28,30-33,35-39H,1,9-10,13H2,2-3H3/b8-6+/t14-,16+,17-,21+,23+,24-,25-,26+,27+,28-,30-,31+,32-/m0/s1
SMILES C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](OC(=O)/C=C/c4ccc(O)c(OC)c4)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
Plantae--Lonicera morrowii Ref.
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