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 CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeAchyranthes fauriei Ref.
PlantaeAmaranthaceaeAlternanthera philoxeroides Ref.
PlantaeAraliaceaeAralia taibaiensis Ref.
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OrganismAlternanthera philoxeroides
ReferenceTang, et al., ZYZ, 32, (1997), 78.

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