input word = C00032768

Metabolite InformationStructural formula
Name Bidentatoside II
Formula C40H62O13
Mw 750.41904207
CAS RN 386253-62-9
C_ID C00032768 ,
InChIKey FDBQAHJAKLTDEC-NPTOQOKQNA-N
InChICode InChI=1S/C40H62O13/c1-35(2)14-16-40(34(49)53-32-30(46)29(45)28(44)23(19-41)51-32)17-15-38(6)21(22(40)18-35)8-9-25-37(5)12-11-26(52-33(31(47)48)50-20-27(42)43)36(3,4)24(37)10-13-39(25,38)7/h8,22-26,28-30,32-33,41,44-46H,9-20H2,1-7H3,(H,42,43)(H,47,48)/t22-,23+,24-,25+,26-,28+,29-,30+,32-,33-,37-,38+,39+,40-/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[C@H](OCC(=O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeAchyranthes bidentata Ref.
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