input word = C00032814

Metabolite InformationStructural formula
Name Araloside A
Chikusetsusaponin IV
Formula C47H74O18
Mw 926.48751556
CAS RN 7518-22-1
C_ID C00032814 ,
InChIKey KQSFNXMDCOFFGW-MGYQKGNKNA-N
InChICode InChI=1S/C47H74O18/c1-42(2)14-16-47(41(59)65-39-33(55)30(52)28(50)23(19-48)61-39)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-34(56)31(53)35(36(64-40)37(57)58)63-38-32(54)29(51)24(20-49)60-38/h8,22-36,38-40,48-56H,9-20H2,1-7H3,(H,57,58)/t22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33+,34+,35-,36-,38-,39-,40+,44-,45+,46+,47-/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](C1(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H]([C@@H]([C@H]1O)O)CO)C(=O)O)C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAralia elata Ref.
PlantaeAraliaceaeAralia elatal Ref.
PlantaeAraliaceaeAralia mandschurica Ref.
PlantaeAraliaceaeAralia manschurica Ref.
PlantaeAraliaceaeAralia schmidtii Ref.
PlantaeAraliaceaePanax japonicus Ref.
PlantaeAraliaceaePanax pseudo-ginseng subsp. pseudo-ginseng Ref.
PlantaeAraliaceaePanax pseudoginseng subsp.himalaicus.var.angustifolius. Ref.
PlantaeAraliaceaePanax zingiberensis Wu et Feng. Ref.
PlantaeOrchidaceaeBrassia muricata Ref.
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