input word = C00031542

Metabolite InformationStructural formula
Name 2-Acetoxy-3-deacetoxycaesaldekarin e
Formula C24H30O6
Mw 414.20423869
CAS RN 18326-06-2
C_ID C00031542 ,
InChIKey FETPRYGDJQBBEF-WFVQAZCCNA-N
InChICode InChI=1S/C24H30O6/c1-13-16-7-9-24(27)22(4,5)12-20(29-14(2)25)21(30-15(3)26)23(24,6)18(16)11-19-17(13)8-10-28-19/h8,10-11,20-21,27H,7,9,12H2,1-6H3/t20-,21-,23-,24+/m0/s1
SMILES CC(=O)O[C@H]1CC(C)(C)[C@]2(O)CCc3c(cc4occc4c3C)[C@@]2(C)[C@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia crista Ref.
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