input word = C00039232

Metabolite InformationStructural formula
Name Fumarprotocetraric acid
Formula C22H16O12
Mw 472.06417598
CAS RN 489-50-9
C_ID C00039232 ,
InChIKey VEGGRTFDFMUBPD-ONEGZZNKSA-N
InChICode InChI=1S/C22H16O12/c1-8-5-12(24)10(6-23)19-15(8)22(31)34-20-11(7-32-14(27)4-3-13(25)26)17(28)16(21(29)30)9(2)18(20)33-19/h3-6,24,28H,7H2,1-2H3,(H,25,26)(H,29,30)/b4-3+
SMILES c1(c(c(c2c(c1COC(=O)/C=C/C(=O)O)OC(=O)c1c(O2)c(c(cc1C)O)C=O)C)C(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiParmeliaceaeUsnea articulata Ref.
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