input word = C00019000

Metabolite InformationStructural formula
Name (3beta,4alpha,22beta)-22-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl]oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid
Formula C59H96O26
Mw 1220.61898324
CAS RN 441045-23-4
C_ID C00019000 ,
InChIKey SOUGUYQVKJLLLQ-CHNYCPMTNA-N
InChICode InChI=1S/C59H96O26/c1-23-33(63)37(67)42(72)49(77-23)83-45-35(65)27(62)21-76-51(45)81-32-19-54(3,4)18-26-25-10-11-30-56(6)14-13-31(57(7,22-61)29(56)12-15-59(30,9)58(25,8)17-16-55(26,32)5)80-53-47(41(71)40(70)44(82-53)48(74)75)85-52-46(39(69)36(66)28(20-60)79-52)84-50-43(73)38(68)34(64)24(2)78-50/h10,23-24,26-47,49-53,60-73H,11-22H2,1-9H3,(H,74,75)/t23-,24+,26+,27+,28+,29-,30+,31-,32+,33-,34-,35+,36-,37+,38+,39-,40-,41-,42-,43+,44-,45+,46+,47-,49-,50-,51-,52-,53+,55+,56-,57-,58+,59+/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@@](CC2)([C@@H](CC(C1)(C)C)O[C@@H]1OC[C@H]([C@H]([C@H]1O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)O)O)C)C)C)C)(C)CO)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@@H]1O[C@@H]([C@@H]([C@H]([C@H]1O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycine max Ref.
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OrganismGlycine max
ReferenceHosny,J. Nat. Prod.,65,(2002),805