input word = C00039281

Metabolite InformationStructural formula
Name Glycosmisic acid
Formula C20H20O7
Mw 372.12090299
CAS RN 443908-19-8
C_ID C00039281 ,
InChIKey FHYQIQMSODIFCP-ZZXKWVIFNA-N
InChICode InChI=1S/C20H20O7/c1-25-16-9-12(4-5-15(16)22)19-14(10-21)13-7-11(3-6-18(23)24)8-17(26-2)20(13)27-19/h3-9,14,19,21-22H,10H2,1-2H3,(H,23,24)/b6-3+/t14-,19-/m0/s1
SMILES c12c([C@@H]([C@@H](O1)c1ccc(c(c1)OC)O)CO)cc(cc2OC)/C=C/C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMentha spicata Ref.
PlantaeRubiaceaeTarenna attenuata Ref.
zoom in