input word = C00054508

Metabolite InformationStructural formula
Name Apigravin
Formula C15H16O4
Mw 260.104859
CAS RN 72963-64-5
C_ID C00054508
InChIKey NYTURSQQJRVHPG-UHFFFAOYSA-N
InChICode InChI=1S/C15H16O4/c1-9(2)4-5-10-8-11-6-7-12(16)19-14(11)15(18-3)13(10)17/h4,6-8,17H,5H2,1-3H3
SMILES COc1c(O)c(CC=C(C)C)cc2ccc(=O)oc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium graveolens Ref.
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