input word = C00049121

Metabolite InformationStructural formula
Name beta-Sitosterol acetate
Formula C31H52O2
Mw 456.3967309
CAS RN 915-05-9
C_ID C00049121 ,
InChIKey PBWOIPCULUXTNY-JCHLCHBENA-N
InChICode InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,20-21,23,25-29H,8-10,12-19H2,1-7H3/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1
SMILES C1[C@H]2[C@H]([C@H]3[C@](C1)([C@H](CC3)[C@@H](CC[C@@H](CC)C(C)C)C)C)CC=C1[C@@]2(CC[C@@H](C1)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAcacia leucophloea Ref.
PlantaeFabaceaeCassia nigricans Ref.
PlantaeMeliaceaeEkebergia pterophylla Ref.
PlantaeZingiberaceaeZingiber officinale Ref.
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