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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > cinnamate ester > 2-hydroxy-3-methyl-4h-pyran-4-one o-(6e-cinnamoyl-b-d-glucoside)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > cinnamate ester > 2-hydroxy-3-methyl-4h-pyran-4-one o-(6e-cinnamoyl-b-d-glucoside)
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > cinnamate ester > 2-hydroxy-3-methyl-4h-pyran-4-one o-(6e-cinnamoyl-b-d-glucoside)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > enoate ester > cinnamate ester > 2-hydroxy-3-methyl-4h-pyran-4-one o-(6e-cinnamoyl-b-d-glucoside)

Preferred term

2-hydroxy-3-methyl-4h-pyran-4-one o-(6e-cinnamoyl-b-d-glucoside)  

Type

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

Broader concept

charge

  • 0

formula

  • C21H22O9

inchi

  • InChI=1S/C21H22O9/c1-12-14(22)9-10-27-20(12)30-21-19(26)18(25)17(24)15(29-21)11-28-16(23)8-7-13-5-3-2-4-6-13/h2-10,15,17-19,21,24-26H,11H2,1H3/b8-7+

inchikey

  • JRUMXTPQUYPUHC-BQYQJAHWSA-N

mass

  • 418.398

monoisotopicmass

  • 418.12638

smiles

  • O1C(C(O)C(O)C(O)C1OC=2OC=CC(=O)C2C)COC(=O)/C=C/C3=CC=CC=C3

subset

  • 2_STAR

synonym EXACT

  • [3,4,5-trihydroxy-6-(3-methyl-4-oxopyran-2-yl)oxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:192037

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