input word = C00024128

Metabolite InformationStructural formula
Name 25-Anhydrocimigenol-3-O-beta-xyloside
Formula C35H54O8
Mw 602.3818687
CAS RN 181765-11-7
C_ID C00024128 ,
InChIKey CVBALRXHSITZGC-WEMRRWJJNA-N
InChICode InChI=1S/C35H54O8/c1-17(2)26-20-14-18(3)27-31(6)12-13-34-16-33(34)11-10-23(41-28-25(38)24(37)19(36)15-40-28)30(4,5)21(33)8-9-22(34)32(31,7)29(39)35(27,42-20)43-26/h18-29,36-39H,1,8-16H2,2-7H3/t18-,19+,20?,21+,22+,23+,24-,25+,26-,27-,28-,29-,31-,32-,33+,34-,35-/m1/s1
SMILES O1[C@@H]([C@H]2C[C@H]([C@H]3[C@@]1([C@@H]([C@@]1([C@@]3(CC[C@@]34[C@H]1CC[C@@H]1[C@]3(CC[C@@H](C1(C)C)O[C@H]1OC[C@@H]([C@H]([C@@H]1O)O)O)C4)C)C)O)O2)C)C(=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCimicifuga foetida L. Ref.
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