input word = C00024136

Metabolite InformationStructural formula
Name 15alpha-Hydroxycimicidol-3-O-beta-xyloside
Formula C42H70O13
Mw 782.48164232
CAS RN 123617-34-5
C_ID C00024136 ,
InChIKey HXXZFHABSSZFHB-RRKFUVHVNA-N
InChICode InChI=1S/C42H70O13/c1-20(2)15-21-17-42(8,55-37-35(50)33(48)31(46)25(19-44)53-37)22-9-13-41(7)29(22)23(51-21)16-27-39(5)12-11-28(38(3,4)26(39)10-14-40(27,41)6)54-36-34(49)32(47)30(45)24(18-43)52-36/h15,21-37,43-50H,9-14,16-19H2,1-8H3/t21-,22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37+,39-,40+,41+,42-/m0/s1
SMILES C1[C@H]2[C@]([C@]3([C@@H]4[C@@H]1O[C@H](C[C@]([C@H]4CC3)(C)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C=C(C)C)C)(CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCimicifuga foetida L. Ref.
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