input word = C00031628

Metabolite InformationStructural formula
Name beta-Sitosteryl-D-glucoside
Formula C35H60O6
Mw 576.43898965
CAS RN 20431-48-5
C_ID C00031628 ,
InChIKey NPJICTMALKLTFW-HCUZAQIBNA-N
InChICode InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3CC[C@@H]1[C@@H](CC[C@H](C(C)C)CC)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeAjuga taiwanensis Ref.
PlantaeLauraceaeCinnamomum subavenium Ref.
PlantaeLauraceaeCinnamomum tenuifolium Ref.
PlantaeLauraceaeNeolitsea acuminatissima Ref.
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OrganismNeolitsea acuminatissima
ReferenceChang,J.Nat.Prod.,65,(2002),255