input word = C00008552

Metabolite InformationStructural formula
Name Alnustinol
Formula C16H14O6
Mw 302.07903818
CAS RN 35298-89-6
C_ID C00008552 ,
InChIKey HFDPLPWGKGPTJB-PVRQQBJHNA-N
InChICode InChI=1S/C16H14O6/c1-21-16-9(17)7-10-11(13(16)19)12(18)14(20)15(22-10)8-5-3-2-4-6-8/h2-7,14-15,17,19-20H,1H3/t14-,15+/m0/s1
SMILES COc1c(O)cc2c(c1O)C(=O)[C@H](O)[C@@H](c1ccccc1)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis bigelovii Ref.
PlantaeAsteraceaeChromolaena chasleae Ref.
PlantaeBetulaceaeAlnus pendula Ref.
PlantaeBetulaceaeAlnus sieboldiana Ref.
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