input word = C00031627

Metabolite InformationStructural formula
Name beta-Sitosterone
Formula C29H48O
Mw 412.37051615
CAS RN 51529-11-4
C_ID C00031627 ,
InChIKey KYOFIJXMVNQYFC-QEVKAYSANA-N
InChICode InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,24-27H,7-9,11-18H2,1-6H3/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1
SMILES C1C(=O)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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGynura segetum Ref.
PlantaeFabaceaeCassia multijuga Ref.
PlantaePolygonaceaePolygonum bistorta Ref.
PlantaeRosaceaeSpiraea formosana Ref.
PlantaeRutaceaeZanthoxylum simulans Ref.
PlantaeRutaceaeZanthoxylum wutaiense Ref.
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