input word = C00032833

Metabolite InformationStructural formula
Name Cimiaceroside A
(-)-Cimiaceroside A
Formula C35H54O9
Mw 618.37678332
CAS RN 210643-83-7
C_ID C00032833 ,
InChIKey SUWXCVINJBVOAI-ZHXMBXRJNA-N
InChICode InChI=1S/C35H54O9/c1-17-23-19(43-35(40)26(17)44-30(4,5)28(35)39)14-32(7)21-9-8-20-29(2,3)22(42-27-25(38)24(37)18(36)15-41-27)10-11-33(20)16-34(21,33)13-12-31(23,32)6/h9,17-20,22-28,36-40H,8,10-16H2,1-7H3/t17-,18+,19-,20-,22-,23-,24-,25+,26+,27-,28+,31+,32-,33+,34-,35+/m0/s1
SMILES C1[C@@H](C([C@H]2[C@]3(C1)[C@]1(C(=CC2)[C@]2([C@](CC1)([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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