input word = C00056381

Metabolite InformationStructural formula
Name Kuguaglycoside C
Formula C36H56O8
Mw 616.39751876
CAS RN 1041631-93-9
C_ID C00056381
InChIKey OMBHCPPEZFBPJG-ZBAJYRRDSA-N
InChICode InChI=1S/C36H56O8/c1-20(2)9-8-10-21(3)22-13-14-35(7)31-25(43-32-30(42)29(41)28(40)26(18-37)44-32)17-24-23(11-12-27(39)33(24,4)5)36(31,19-38)16-15-34(22,35)6/h8-9,17,19,21-23,25-32,37,39-42H,1,10-16,18H2,2-7H3/b9-8+/t21-,22-,23-,25+,26-,27+,28-,29+,30-,31+,32-,34-,35+,36-/m1/s1
SMILES O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@]([C@@](CC[C@]3([H])[C@H](C)C/C=C/C(C)=C)(C)[C@]3(C)CC4)([H])[C@]4(C=O)[C@@](CC[C@H](O)C5(C)C)([H])C5=C2)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica charantia Ref.
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