input word = C00034426

Metabolite InformationStructural formula
Name Acacioside A
3-O-[beta-D-xylopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->6)-2-acetamido-2-deoxy-beta-D-glucopyranosyl] echinocystic acid
Formula C48H77NO17
Mw 939.51915004
CAS RN 405305-24-0
C_ID C00034426 ,
InChIKey MLRZPRGBFKQPOT-CYLRJZNNNA-N
InChICode InChI=1S/C48H77NO17/c1-22(50)49-32-36(57)35(56)27(21-63-41-38(34(55)26(52)20-62-41)66-40-37(58)33(54)25(51)19-61-40)64-39(32)65-31-12-13-45(6)28(44(31,4)5)11-14-46(7)29(45)10-9-23-24-17-43(2,3)15-16-48(24,42(59)60)30(53)18-47(23,46)8/h9,24-41,51-58H,10-21H2,1-8H3,(H,49,50)(H,59,60)/t24-,25+,26+,27+,28-,29+,30+,31-,32+,33-,34+,35+,36+,37+,38+,39-,40-,41-,45-,46+,47+,48+/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]([C@@H](C2)O)(CCC(C1)(C)C)C(=O)O)C)C)C)(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1NC(=O)C)O)O)CO[C@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAlbizia procera Ref.
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