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[C@@H]1C[C@H]2OC3(O[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)[C@@H]4CC[C@@H]5C(CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C5(C)C)[C@@]45C[C@H]5[C@@H](O)[C@]2(C)[C@@H]13
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCimicifuga racemosa Ref.
zoom in