input word = C00031849

Metabolite InformationStructural formula
Name Hederasaponin C
Hederoside H1
Kalopanaxsaponin B
Kizuta saponin K12
Koronaroside B
Pericarsaponin Pk
Pulsatilla saponin F
Saponin K12
Saponin PK
Tauroside H2
Tauroside St-H2
Formula C59H96O26
Mw 1220.61898324
CAS RN 14216-03-6
C_ID C00031849 ,
InChIKey RYHDIBJJJRNDSX-QRCIXSPYNA-N
InChICode InChI=1S/C59H96O26/c1-24-34(63)38(67)42(71)49(78-24)83-46-29(20-60)80-48(45(74)41(46)70)77-22-30-37(66)40(69)44(73)51(81-30)85-53(75)59-17-15-54(3,4)19-27(59)26-9-10-32-55(5)13-12-33(56(6,23-61)31(55)11-14-58(32,8)57(26,7)16-18-59)82-52-47(36(65)28(62)21-76-52)84-50-43(72)39(68)35(64)25(2)79-50/h9,24-25,27-52,60-74H,10-23H2,1-8H3/t24-,25-,27-,28-,29+,30+,31+,32+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,45+,46+,47+,48+,49-,50-,51-,52-,55-,56-,57-,58-,59-/m0/s1
SMILES C1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@@]([C@]1(CC2)C)(CC[C@@H]1[C@@]3(CC[C@@H]([C@@]1(C)CO)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeHedera pastuchowii Ref.
PlantaeFabaceaeOxytropis myriophylla Ref.
PlantaeRanunculaceaeClematis tibetana KUNTZ Ref.
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