input word = C00029800

Metabolite InformationStructural formula
Name Bayogenin 3-O-beta-D-glucopyranoside
Formula C36H58O10
Mw 650.40299807
CAS RN 104513-86-2
C_ID C00029800 ,
InChIKey ZOUJKJNUAOXJGL-BDRIZDOUNA-N
InChICode InChI=1S/C36H58O10/c1-31(2)11-13-36(30(43)44)14-12-34(5)19(20(36)15-31)7-8-24-32(3)16-21(39)28(33(4,18-38)23(32)9-10-35(24,34)6)46-29-27(42)26(41)25(40)22(17-37)45-29/h7,20-29,37-42H,8-18H2,1-6H3,(H,43,44)/t20-,21-,22+,23-,24+,25+,26-,27+,28-,29-,32-,33-,34+,35+,36-/m0/s1
SMILES C1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@H]1[C@@]3(C[C@@H]([C@@H]([C@@]1(C)CO)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)C)C)C(=O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala japonica Ref.
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