input word = C00030887

Metabolite InformationStructural formula
Name Oleanolic acid 28-O-beta-D-glucopyranoside
Formula C36H58O8
Mw 618.41316883
CAS RN 14162-53-9
C_ID C00030887 ,
InChIKey KMKFOIBUKYMVRJ-AGSIPIFSNA-N
InChICode InChI=1S/C36H58O8/c1-31(2)14-16-36(30(42)44-29-28(41)27(40)26(39)22(19-37)43-29)17-15-34(6)20(21(36)18-31)8-9-24-33(5)12-11-25(38)32(3,4)23(33)10-13-35(24,34)7/h8,21-29,37-41H,9-19H2,1-7H3/t21-,22+,23-,24+,25-,26+,27-,28+,29-,33-,34+,35+,36-/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)(CCC(C1)(C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeAchyranthes fauriei Ref.
PlantaeAmaranthaceaeAlternanthera philoxeroides Ref.
PlantaeAraliaceaeAralia taibaiensis Ref.
zoom in



OrganismAlternanthera philoxeroides
ReferenceTang, et al., ZYZ, 32, (1997), 78.

Zhao, et al., NPRD, 11, (1999), 1