input word = C00005017

Metabolite InformationStructural formula
Name Aliarin
Formula C22H24O8
Mw 416.14711774
CAS RN 84294-77-9
C_ID C00005017 ,
InChIKey AMAMGOYSZHKBTQ-UHFFFAOYSA-N
InChICode InChI=1S/C22H24O8/c1-22(2,27)8-7-11-9-12(5-6-13(11)23)19-21(29-4)18(26)16-15(30-19)10-14(24)20(28-3)17(16)25/h5-6,9-10,23-25,27H,7-8H2,1-4H3
SMILES c1(c(c(c2c(c1)oc(c(c2=O)OC)c1cc(c(cc1)O)CCC(C)(C)O)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeDodonaea viscosa Ref.
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