input word = C00055476

Metabolite InformationStructural formula
Name AzII
Formula C54H82O23
Mw 1098.52468893
CAS RN 244776-45-2
C_ID C00055476
InChIKey XIOUCIKZATWNIJ-IYXKNURLSA-N
InChICode InChI=1S/C54H82O23/c1-22-32(58)25(57)17-31(70-22)72-30-19-49(2,3)18-24-23-9-10-28-51(5)13-12-29(52(6,21-56)27(51)11-14-54(28,8)53(23,7)16-15-50(24,30)4)73-47-42(37(63)35(61)40(74-47)44(66)67)77-48-43(38(64)36(62)41(75-48)45(68)69)76-46-39(65)34(60)33(59)26(20-55)71-46/h9,24,26-31,33-43,46-48,55-56,58-65H,10-21H2,1-8H3,(H,66,67)(H,68,69)/t24-,26+,27+,28+,29-,30+,31-,33+,34-,35-,36-,37-,38-,39+,40-,41-,42+,43+,46-,47+,48-,50+,51-,52+,53+,54+/m0/s1
SMILES C[C@]12CC[C@@H]([C@@](C)([C@@]1(CC[C@]3([C@@](C)(C4=CC[C@]23[H])CC[C@@]5([C@]4(CC(C)(C[C@H]5O[C@H]6CC(C(O)=C(O6)C)=O)C)[H])C)C)[H])CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(O)=O)O)O)O[C@@H]([C@@H]8O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O[C@@H]([C@H]([C@@H]8O)O)C(O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeVigna angularis Ref.
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