input word = C00024134

Metabolite InformationStructural formula
Name Cimicinol
Formula C35H52O8
Mw 600.36621864
CAS RN 161239-02-7
C_ID C00024134 ,
InChIKey AYQRZIHVNBUHFB-ZPUWTCBZNA-N
InChICode InChI=1S/C35H52O8/c1-18-12-24-29(32(4,5)39)43-35(42-24)17-33(6)14-20-8-10-22-19(13-21(20)15-34(33,7)28(18)35)9-11-25(31(22,2)3)41-30-27(38)26(37)23(36)16-40-30/h8-9,15,18,22-30,36-39H,10-14,16-17H2,1-7H3/t18-,22+,23+,24+,25-,26+,27-,28-,29-,30+,33-,34?,35+/m1/s1
SMILES C[C@@H]1C[C@@H]2O[C@@]3(C[C@@]4(C)CC5=CCC6C(=CCC(OC7OC[C@@H](O)[C@H](O)[C@H]7O)C6(C)C)CC5=C[C@]4(C)[C@@H]13)O[C@H]2C(C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCimicifuga foetida L. Ref.
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