input word = C00032835

Metabolite InformationStructural formula
Name Cimiracemoside F
Formula C37H56O11
Mw 676.38226263
CAS RN 264875-61-8
C_ID C00032835 ,
InChIKey IHMRHYCBRKQAFU-XJAOGIKMNA-N
InChICode InChI=1S/C37H56O11/c1-17-25-20(47-37(43)28(17)48-32(5,6)30(37)42)13-33(7)22-10-9-21-31(3,4)23(46-29-27(41)26(40)19(39)15-44-29)11-12-35(21)16-36(22,35)14-24(34(25,33)8)45-18(2)38/h10,17,19-21,23-30,39-43H,9,11-16H2,1-8H3/t17-,19+,20-,21-,23-,24+,25-,26-,27+,28+,29-,30+,33-,34+,35+,36-,37+/m0/s1
SMILES C1[C@@H](C([C@H]2[C@]3(C1)[C@]1(C(=CC2)[C@]2([C@]([C@@H](C1)OC(=O)C)([C@@H]1[C@H](C2)O[C@@]2([C@@H]([C@H]1C)OC([C@H]2O)(C)C)O)C)C)C3)(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCimicifuga racemosa Ref.
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