input word = C00054457

Metabolite InformationStructural formula
Name Codonolaside I
Formula C58H92O26
Mw 1204.58768311
CAS RN 946617-17-0
C_ID C00054457
InChIKey WCHCZBDLRYPTBB-OWTVSNKCSA-N
InChICode InChI=1S/C58H92O26/c1-23-42(80-47-37(67)33(63)26(59)20-75-47)36(66)39(69)49(78-23)83-45-35(65)28(61)22-77-51(45)84-52(73)58-17-16-53(2,3)18-25(58)24-10-11-30-55(6)14-13-32(54(4,5)29(55)12-15-56(30,7)57(24,8)19-31(58)62)79-50-41(71)43(40(70)44(82-50)46(72)74-9)81-48-38(68)34(64)27(60)21-76-48/h10,23,25-45,47-51,59-71H,11-22H2,1-9H3/t23-,25-,26+,27+,28-,29-,30+,31+,32-,33-,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,44-,45+,47-,48-,49+,50+,51-,55-,56+,57+,58+/m0/s1
SMILES COC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6OC6O[C@@H](C)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H]6O)[C@H](O)C[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)[C@H](O)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCampanulaceae/LobeliaceaeCodonopsis lanceolata Ref.
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