input word = C00046665

Metabolite InformationStructural formula
Name Cimiracemoside D
(-)-Cimiracemoside D
Formula C37H58O11
Mw 678.3979127
CAS RN 290821-39-5
C_ID C00046665 ,
InChIKey HZIBYJCDCHVSPK-UIDJAJQHNA-N
InChICode InChI=1S/C37H58O11/c1-17-13-20-28(32(5,6)43)48-37(47-20)27(17)34(8)24(45-18(2)38)14-36-16-35(36)12-11-23(46-29-26(41)25(40)19(39)15-44-29)31(3,4)21(35)9-10-22(36)33(34,7)30(37)42/h17,19-30,39-43H,9-16H2,1-8H3/t17-,19+,20?,21+,22+,23+,24-,25+,26-,27-,28+,29+,30-,33-,34-,35-,36+,37-/m1/s1
SMILES [C@@H]12C[C@H]([C@H]3[C@]([C@@H]([C@@]4([C@@]3([C@@H](C[C@]35[C@H]4CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@@H]3OC[C@@H]([C@@H]([C@H]3O)O)O)C5)OC(=O)C)C)C)O)(O[C@@H]1C(C)(O)C)O2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCimicifuga racemosa Ref.
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