input word = C00033560

Metabolite InformationStructural formula
Name 3-O-[alpha-L-arabinopyranosyl-(1->2)-beta-D-fucopyranosyl-(1->6)-2-acetamido-2-deoxy-beta-D-glucopyranosyl] echinocystic acid
Formula C49H79NO17
Mw 953.53480011
CAS RN 942915-42-6
C_ID C00033560 ,
InChIKey OAGAPNRITMWLKW-OUEWCRKXNA-N
InChICode InChI=1S/C27H34O8/c1-25(2)20(19(29)24(32)33-5)27(4)16-6-8-26(3)17(14(16)10-15(21(25)30)22(27)31)11-18(28)35-23(26)13-7-9-34-12-13/h7,9,11-12,14-16,19-21,23,29-30H,6,8,10H2,1-5H3/t14-,15+,16+,19-,20+,21-,23+,26-,27-/m1/s1
SMILES [C@@H]1(C([C@@H]([C@]2([C@@H]3[C@@H](C[C@@H]1C2=O)C1=CC(=O)O[C@H]([C@@]1(CC3)C)c1ccoc1)C)[C@H](C(=O)OC)O)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAlbizia procera Ref.
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