input word = C00029968

Metabolite InformationStructural formula
Name Cirensenoside P
3-O-beta-D-glucopyranosyl, 28-O-beta-D-glucopyranosyl(1->6)-beta-D-glucopyranosyl betulinate
Formula C48H78O18
Mw 942.51881569
CAS RN 194474-46-9
C_ID C00029968 ,
InChIKey LOHPNXPOCRDJSL-OJCMMYPRNA-N
InChICode InChI=1S/C48H78O18/c1-21(2)22-10-15-48(43(60)66-42-39(59)36(56)33(53)26(64-42)20-61-40-37(57)34(54)31(51)24(18-49)62-40)17-16-46(6)23(30(22)48)8-9-28-45(5)13-12-29(44(3,4)27(45)11-14-47(28,46)7)65-41-38(58)35(55)32(52)25(19-50)63-41/h22-42,49-59H,1,8-20H2,2-7H3/t22-,23+,24+,25+,26+,27-,28+,29-,30-,31+,32+,33+,34-,35-,36-,37+,38+,39+,40+,41-,42-,45-,46+,47+,48-/m0/s1
SMILES [C@@H]12[C@@](CC[C@@]3([C@@H]1CC[C@H]1[C@]3(CC[C@@H]3[C@@]1(CC[C@@H](C3(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)(CC[C@H]2C(=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)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeBrunfelsia grandiflora D.DON Ref.
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