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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > coumarins > 2-[(3,4,8-trimethyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid prop-2-enyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > coumarins > 2-[(3,4,8-trimethyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid prop-2-enyl ester
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > chromenes > chromenone > coumarins > 2-[(3,4,8-trimethyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid prop-2-enyl ester

Preferred term

2-[(3,4,8-trimethyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid prop-2-enyl ester  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C17H18O5

inchi

  • InChI=1S/C17H18O5/c1-5-8-20-15(18)9-21-14-7-6-13-10(2)11(3)17(19)22-16(13)12(14)4/h5-7H,1,8-9H2,2-4H3

inchikey

  • XMLQMAOHZGXAPK-UHFFFAOYSA-N

mass

  • 302.322

monoisotopicmass

  • 302.11542

smiles

  • CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)OCC=C)C

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:107801

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