input word = C00002459

Metabolite InformationStructural formula
Name Columbianetin
Formula C14H14O4
Mw 246.08920894
CAS RN 52842-47-4
C_ID C00002459 ,
InChIKey YRAQEMCYCSSHJG-LDGXTIHJNA-N
InChICode InChI=1S/C14H14O4/c1-14(2,16)11-7-9-10(17-11)5-3-8-4-6-12(15)18-13(8)9/h3-6,11,16H,7H2,1-2H3/t11-/m1/s1
SMILES c1c2c(c3c(c1)ccc(=O)o3)C[C@@H](O2)C(C)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeZanthoxylum americanum Ref.
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