input word = C00002842

Metabolite InformationStructural formula
Name 5-O-Methylembelin
Formula C18H28O4
Mw 308.19875938
CAS RN 56005-10-8
C_ID C00002842 ,
InChIKey KHBJLRRAMCJZLZ-UHFFFAOYSA-N
InChICode InChI=1S/C18H28O4/c1-3-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(22-2)18(14)21/h13,20H,3-12H2,1-2H3
SMILES C1(=CC(=O)C(=C(C1=O)CCCCCCCCCCC)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrsinaceaeAegiceras corniculatum Ref.
PlantaeMyrsinaceaeMyrsine africana Ref.
PlantaeOxalidaceaeAverrhoa carambola Ref.
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OrganismMyrsine africana
ReferenceMerian,M.et al.,Helv.Chim.Acta,31,(1948),2237