input word = C00064062

Metabolite InformationStructural formula
Name Neoaloesin A
Formula C19H22O9
Mw 394.1263823
CAS RN 182871-84-7
C_ID C00064062
InChIKey DAISPADBXDGVDW-QLXPXKAKSA-N
InChICode InChI=1S/C19H22O9/c1-7-3-10(22)14(19-16(26)15(25)17(28-19)12(24)6-20)18-13(7)11(23)5-9(27-18)4-8(2)21/h3,5,12,15-17,19-20,22,24-26H,4,6H2,1-2H3/t12-,15-,16-,17-,19-/m1/s1
SMILES CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(C(O)CO)C(O)C3O)c2o1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeAloe vera Ref.
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