input word = C00046579

Metabolite InformationStructural formula
Name 26-Deoxycimicifugoside
(-)-26-Deoxycimicifugoside
Formula C37H54O10
Mw 658.37169795
CAS RN 214146-75-5
C_ID C00046579 ,
InChIKey PBKJAWKRZRAQQO-JJTQJYLQNA-N
InChICode InChI=1S/C37H54O10/c1-18-12-37(30-33(6,47-30)17-43-37)46-21-13-32(5)23-9-8-22-31(3,4)24(45-29-28(41)27(40)20(39)15-42-29)10-11-35(22)16-36(23,35)14-25(44-19(2)38)34(32,7)26(18)21/h9,18,20-22,24-30,39-41H,8,10-17H2,1-7H3/t18-,20-,21+,22+,24+,25-,26+,27+,28-,29+,30-,32+,33-,34-,35-,36+,37+/m1/s1
SMILES C1O[C@@]2([C@H]3[C@@]1(O3)C)C[C@H]([C@H]1[C@@H](O2)C[C@@]2([C@@]1([C@@H](C[C@]13C2=CC[C@@H]2[C@@]1(CC[C@@H](C2(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C3)OC(=O)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCimicifuga racemosa Ref.
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