input word = C00012208

Metabolite InformationStructural formula
Name Grazielia acid
Formula C20H24O6
Mw 360.1572885
CAS RN 79435-34-0
C_ID C00012208 ,
InChIKey IOPBGRHISQTQKP-LAKRGICONA-N
InChICode InChI=1S/C20H24O6/c1-5-12(3)19(23)25-16-10-14(18(21)22)8-6-7-11(2)9-15-17(16)13(4)20(24)26-15/h5,8-9,15-17H,4,6-7,10H2,1-3H3,(H,21,22)/b11-9+,12-5-,14-8+/t15-,16+,17?/m0/s1
SMILES C=C1C(=O)O[C@@H]2/C=C(C)CC/C=C(/C(=O)O)C[C@@H](OC(=O)/C(C)=CC)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGrazielia intermedia Ref.
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