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 C1(=O)O[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@]13[C@H]2CC[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.
zoom in