input word = C00055427

Metabolite InformationStructural formula
Name Chikusetsusaponin L5
Formula C46H78O17
Mw 902.52390107
CAS RN 65700-68-7
C_ID C00055427
InChIKey DGBYYDCXKLJFHV-DYQKLJFLSA-N
InChICode InChI=1S/C46H78O17/c1-21(2)10-9-13-46(8,22-11-15-44(6)30(22)23(47)16-28-43(5)14-12-29(50)42(3,4)38(43)24(48)17-45(28,44)7)63-41-37(57)34(54)32(52)26(62-41)19-59-39-36(56)33(53)27(20-60-39)61-40-35(55)31(51)25(49)18-58-40/h10,22-41,47-57H,9,11-20H2,1-8H3/t22?,23?,24-,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,43?,44+,45?,46?/m0/s1
SMILES CC(CC/C=C(C)/C)(OC1C(O)C(O)C(O)C(COC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)O1)C4CC[C@@]5(C)C6(C)C[C@H](O)C7C(C)(C)C(O)CCC7(C)C6CC(O)C54
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax japonicus Ref.
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