input word = C00055477

Metabolite InformationStructural formula
Name AzIII
Formula C54H82O22
Mw 1082.52977431
CAS RN 244776-46-3
C_ID C00055477
InChIKey MISLOXVLNGPFID-USTFHRRUSA-N
InChICode InChI=1S/C54H82O22/c1-22-32(57)26(56)18-31(69-22)71-30-20-49(3,4)19-25-24-10-11-28-51(6)14-13-29(52(7,21-55)27(51)12-15-54(28,9)53(24,8)17-16-50(25,30)5)72-47-42(37(62)35(60)40(73-47)44(65)66)76-48-43(38(63)36(61)41(74-48)45(67)68)75-46-39(64)34(59)33(58)23(2)70-46/h10,23,25,27-31,33-43,46-48,55,57-64H,11-21H2,1-9H3,(H,65,66)(H,67,68)/t23-,25-,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](O[C@H]3[C@H](O[C@H](O[C@H](C(O)=O)[C@@H](O)[C@@H]4O)[C@@H]4O[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O3)[C@@]([C@]1([H])CC[C@@]6(C)[C@@](C7=CC[C@]26[H])(CC[C@]8(C)[C@@]7([H])CC(C[C@H]8O[C@H]9CC(C(O)=C(C)O9)=O)(C)C)C)(CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeVigna angularis Ref.
zoom in