input word = C00046666

Metabolite InformationStructural formula
Name Cimiracemoside E
Formula C37H58O11
Mw 678.3979127
CAS RN 290821-40-8
C_ID C00046666 ,
InChIKey WBQXCIWJYDQQNN-XVYVONQANA-N
InChICode InChI=1S/C37H58O11/c1-18(39)46-30(33(4,5)44)21-14-19(15-38)25-28(47-21)29(43)35(7)23-9-8-22-32(2,3)24(48-31-27(42)26(41)20(40)16-45-31)10-11-36(22)17-37(23,36)13-12-34(25,35)6/h19-28,30-31,38,40-42,44H,8-17H2,1-7H3/t19-,20+,21+,22-,23-,24-,25-,26-,27+,28+,30-,31-,34+,35+,36+,37-/m0/s1
SMILES [C@@H]1(C[C@H]([C@H]2[C@@H](O1)C(=O)[C@@]1([C@@]2(CC[C@]23[C@H]1CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C3)C)C)CO)[C@H](OC(=O)C)C(C)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCimicifuga racemosa Ref.
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