input word = C00032620

Metabolite InformationStructural formula
Name 23-O-Acetylshengmanol 3-O-beta-D-xylopyranoside
(-)-23-O-Acetylshengmanol 3-O-beta-D-xylopyranoside
Formula C37H58O10
Mw 662.40299807
CAS RN 372096-69-0
C_ID C00032620 ,
InChIKey IHEJMZHKJYHVFF-OFYBNYOZNA-N
InChICode InChI=1S/C37H58O10/c1-18(15-21(45-19(2)38)30-33(5,6)47-30)25-27(41)29(43)35(8)23-10-9-22-32(3,4)24(46-31-28(42)26(40)20(39)16-44-31)11-12-36(22)17-37(23,36)14-13-34(25,35)7/h18,20-26,28-31,39-40,42-43H,9-17H2,1-8H3/t18-,20-,21-,22+,23+,24+,25+,26+,28-,29+,30-,31+,34-,35-,36-,37+/m1/s1
SMILES C1[C@@H](C([C@H]2[C@]3(C1)[C@]1([C@@H](CC2)[C@]2([C@](CC1)([C@H](C(=O)[C@@H]2O)[C@@H](C[C@H]([C@@H]1C(O1)(C)C)OC(=O)C)C)C)C)C3)(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCimicifuga racemosa Ref.
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