input word = C00032595

Metabolite InformationStructural formula
Name 12beta-Hydroxycimigenol 3-O-alpha-L-arabinopyranoside
Formula C35H56O10
Mw 636.38734801
CAS RN 168287-99-8
C_ID C00032595 ,
InChIKey CJKBUAQFJJHXSG-BFDWRDQONA-N
InChICode InChI=1S/C35H56O10/c1-15-12-20-27(31(4,5)41)45-35(44-20)25(15)33(7)26(39)18-13-34(18)17-9-11-22(43-28-24(38)23(37)19(36)14-42-28)30(2,3)16(17)8-10-21(34)32(33,6)29(35)40/h15-29,36-41H,8-14H2,1-7H3/t15-,16-,17+,18?,19+,20?,21+,22+,23+,24-,25-,26-,27+,28+,29-,32-,33+,34+,35+/m1/s1
SMILES [C@H]1([C@H]2C[C@H]([C@H]3[C@](O1)([C@@H]([C@@]1([C@@]3([C@@H]([C@H]3[C@]4([C@H]1CC[C@@H]1[C@@H]4CC[C@@H](C1(C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)C3)O)C)C)O)O2)C)C(C)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCimicifuga racemosa Ref.
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