input word = C00019933

Metabolite InformationStructural formula
Name Isoarnottinin
Formula C14H14O4
Mw 246.08920894
CAS RN 154159-20-3
C_ID C00019933 ,
InChIKey TXAQUMCUNALGRP-XNWCZRBMSA-N
InChICode InChI=1S/C14H14O4/c1-9(8-15)2-5-11-12(16)6-3-10-4-7-13(17)18-14(10)11/h2-4,6-7,15-16H,5,8H2,1H3/b9-2+
SMILES c1c(c(c2c(c1)ccc(=O)o2)C/C=C(\C)/CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAmmi majus Ref.
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