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Concept information

Preferred term

trans-grandmarin isovalerate  

Type

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

Broader concept

charge

  • 0

formula

  • C20H24O7

inchi

  • InChI=1S/C20H24O7/c1-10(2)8-15(22)26-19-17(23)16-13(27-20(19,3)4)9-12(24-5)11-6-7-14(21)25-18(11)16/h6-7,9-10,17,19,23H,8H2,1-5H3

inchikey

  • KULKFALUVSLOHX-UHFFFAOYSA-N

mass

  • 376.405

monoisotopicmass

  • 376.15220

smiles

  • O1C(C(OC(=O)CC(C)C)C(O)C=2C1=CC(OC)=C3C2OC(=O)C=C3)(C)C

subset

  • 2_STAR

synonym EXACT

  • (10-hydroxy-5-methoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-]chromen-9-yl) 3-methylbutanoate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:175836

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