input word = C00057845

Metabolite InformationStructural formula
Name Udosaponin C
Formula C52H82O22
Mw 1058.52977431
CAS RN 125517-40-0
C_ID C00057845
InChIKey WWNXWLCSMBYNIS-ZIMPUBJMSA-N
InChICode InChI=1S/C53H84O23/c1-48(2)14-16-53(47(68)76-45-37(64)34(61)32(59)26(20-55)71-45)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)72-46-40(74-44-36(63)33(60)31(58)25(19-54)70-44)38(65)39(41(75-46)42(66)67)73-43-35(62)30(57)24(56)21-69-43/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)/t23-,24+,25+,26+,27-,28+,29-,30-,31-,32+,33-,34-,35+,36+,37+,38-,39-,40+,41-,43-,44-,45-,46+,50-,51+,52+,53-/m0/s1
SMILES CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAralia cordata Ref.
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OrganismAralia cordata
ReferenceKochetkov, N.K. et al., Izv. Akad. Nauk SSSR, Ser. Khim., 1963, 1398 (Aralosides)