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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > coumarins > 4,8-dimethyl-3-(phenylmethyl)-7-(2h-tetrazol-5-ylmethoxy)-1-benzopyran-2-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > coumarins > 4,8-dimethyl-3-(phenylmethyl)-7-(2h-tetrazol-5-ylmethoxy)-1-benzopyran-2-one
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > chromenes > chromenone > coumarins > 4,8-dimethyl-3-(phenylmethyl)-7-(2h-tetrazol-5-ylmethoxy)-1-benzopyran-2-one

Preferred term

4,8-dimethyl-3-(phenylmethyl)-7-(2h-tetrazol-5-ylmethoxy)-1-benzopyran-2-one  

Type

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

Broader concept

charge

  • 0

formula

  • C20H18N4O3

inchi

  • InChI=1S/C20H18N4O3/c1-12-15-8-9-17(26-11-18-21-23-24-22-18)13(2)19(15)27-20(25)16(12)10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3,(H,21,22,23,24)

inchikey

  • STBUDKIRLAIWSI-UHFFFAOYSA-N

mass

  • 362.383

monoisotopicmass

  • 362.13789

smiles

  • CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=NNN=N3)CC4=CC=CC=C4

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:121061

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