input word = C00064290

Metabolite InformationStructural formula
Name Albiziatrioside A
Formula C48H77NO16
Mw 923.52423542
CAS RN 342395-82-8
C_ID C00064290
InChIKey ZHJLYHABGRSKOY-IRVOGBMASA-N
InChICode InChI=1S/C48H77NO16/c1-23(50)49-32-36(56)35(55)28(22-62-41-38(34(54)27(52)21-61-41)65-40-37(57)33(53)26(51)20-60-40)63-39(32)64-31-12-13-45(6)29(44(31,4)5)11-14-47(8)30(45)10-9-24-25-19-43(2,3)15-17-48(25,42(58)59)18-16-46(24,47)7/h9,25-41,51-57H,10-22H2,1-8H3,(H,49,50)(H,58,59)/t25-,26+,27-,28+,29-,30+,31-,32+,33-,34-,35+,36+,37+,38+,39-,40-,41-,45-,46+,47+,48-/m0/s1
SMILES CC(=O)NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)C)OC(COC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAlbizia subdimidiata Ref.
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