input word = C00002957

Metabolite InformationStructural formula
Name Isogentisin
Formula C14H10O5
Mw 258.05282343
CAS RN 491-64-5
C_ID C00002957 ,
InChIKey FVIYCYAHKMJVJK-UHFFFAOYSA-N
InChICode InChI=1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3
SMILES c1(cc(c2c(c1)oc1c(c2=O)cc(cc1)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana lutea Ref.
PlantaeGentianaceaeSwertia chirata Ref.
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