input word = C00030000

Metabolite InformationStructural formula
Name Codonoside B
Formula C58H92O27
Mw 1220.58259774
CAS RN 124901-23-1
C_ID C00030000 ,
InChIKey HKUOEIVTZCLWHU-CKNMGVTENA-N
InChICode InChI=1S/C58H92O27/c1-22-42(81-47-38(69)32(63)25(60)20-76-47)36(67)40(71)48(78-22)82-43-27(19-59)79-49(41(72)37(43)68)84-45-33(64)26(61)21-77-51(45)85-52(75)58-16-15-53(2,3)17-24(58)23-9-10-29-55(6)13-12-31(80-50-39(70)34(65)35(66)44(83-50)46(73)74)54(4,5)28(55)11-14-56(29,7)57(23,8)18-30(58)62/h9,22,24-45,47-51,59-72H,10-21H2,1-8H3,(H,73,74)/t22-,24-,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 C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]([C@@H](C2)O)(CCC(C1)(C)C)C(=O)O[C@H]1OC[C@@H]([C@H]([C@@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C)O)O)O)O)C)C)C)(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCampanulaceae/LobeliaceaeCodonopsis lanceolata Ref.
PlantaeCampanulaceae/LobeliaceaeCodonopsis tangshen OLIV. Ref.
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