input word = C00038575

Metabolite InformationStructural formula
Name Bacopaside VI
(-)-Bacopaside VI
Formula C41H66O16S
Mw 846.40715679
CAS RN 935756-71-1
C_ID C00038575 ,
InChIKey JZAZJIXVJNAOQD-XQCKADIZNA-N
InChICode InChI=1S/C41H66O16S/c1-20(2)14-21-15-52-41-18-40(19-53-41)22(33(41)39(21,7)47)8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-38(26,40)6)56-34-31(46)32(23(42)16-51-34)57-35-30(45)29(44)28(43)24(55-35)17-54-58(48,49)50/h14,21-35,42-47H,8-13,15-19H2,1-7H3,(H,48,49,50)/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(C)O)C=C(C)C)OC3)C)C)(C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)COS(=O)(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeBacopa monnieri Ref.
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OrganismBacopa monnieri
ReferenceZhou,J.Nat.Prod.,70,(2007),652