input word = C00029770

Metabolite InformationStructural formula
Name Bacopasaponin D
Formula C41H66O13
Mw 766.4503422
CAS RN 181373-38-6
C_ID C00029770 ,
InChIKey VLXUAAOAPVQYDO-QPAAMZAZNA-N
InChICode InChI=1S/C41H66O13/c1-20(2)14-21-17-49-41-18-40(19-50-41)22(33(41)39(21,7)48)8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-38(26,40)6)53-35-32(30(46)28(44)23(15-42)52-35)54-34-31(47)29(45)24(16-43)51-34/h14,21-35,42-48H,8-13,15-19H2,1-7H3/t21-,22-,23-,24+,25+,26-,27+,28-,29+,30+,31-,32-,33+,34+,35+,37+,38-,39+,40+,41-/m1/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@@]23[C@H](CC1)[C@@H]1[C@](C2)(OC[C@H]([C@@]1(O)C)C=C(C)C)OC3)C)C)(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@H]([C@@H]([C@H]1O)O)CO)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeBacopa monnieri Ref.
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