input word = C00032876

Metabolite InformationStructural formula
Name Cussosaponin E
Formula C59H96O26
Mw 1220.61898324
CAS RN 475598-92-6
C_ID C00032876 ,
InChIKey QDIPHYXDNJBKTG-BMZTVWDANA-N
InChICode InChI=1S/C59H96O26/c1-23-10-15-59(54(76)85-52-47(74)43(70)40(67)31(82-52)22-78-50-45(72)36(63)25(29(19-60)80-50)18-28-38(65)41(68)44(71)49(75)79-28)17-16-57(6)26(35(59)24(23)2)8-9-33-56(5)13-12-34(55(3,4)32(56)11-14-58(33,57)7)83-53-48(37(64)27(62)21-77-53)84-51-46(73)42(69)39(66)30(20-61)81-51/h8,23-25,27-53,60-75H,9-22H2,1-7H3/t23-,24+,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+,53+,56+,57-,58-,59+/m1/s1
SMILES [C@H]1(CC[C@]2([C@@H]([C@H]1C)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]1OC[C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)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)C[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeCussonia racemosa BAKER Ref.
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