input word = C00045779

Metabolite InformationStructural formula
Name Cimiracemoside P
(-)-Cimiracemoside P
Formula C37H54O11
Mw 674.36661257
CAS RN 473554-80-2
C_ID C00045779 ,
InChIKey KRKLOCQWMFXIPR-DVUYZNLMNA-N
InChICode InChI=1S/C37H54O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h17,19-29,39-41H,8-16H2,1-7H3/t17-,19-,20+,21+,22+,23+,24-,25+,26+,27-,28+,29+,32+,33-,34-,35-,36+,37-/m1/s1
SMILES CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC[C@H]3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)OC(=O)[C@]1(C)O[C@H]41
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCimicifuga racemosa Ref.
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