input word = C00055478

Metabolite InformationStructural formula
Name AzIV
Formula C54H84O22
Mw 1084.54542437
CAS RN 244776-47-4
C_ID C00055478
InChIKey YLBMNMLHAAOXAL-QVAGLGTDSA-N
InChICode InChI=1S/C54H84O22/c1-23-34(59)26(58)17-33(69-23)72-32-19-49(2,3)18-25-24-9-10-30-51(5)13-12-31(52(6,22-57)29(51)11-14-54(30,8)53(24,7)16-15-50(25,32)4)73-48-44(40(65)39(64)42(74-48)45(67)68)76-47-43(38(63)36(61)28(21-56)71-47)75-46-41(66)37(62)35(60)27(20-55)70-46/h9,25,27-33,35-44,46-48,55-57,59-66H,10-22H2,1-8H3,(H,67,68)/t25-,27+,28+,29+,30+,31-,32+,33-,35+,36+,37-,38-,39-,40-,41+,42-,43+,44+,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)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeVigna angularis Ref.
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