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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > cinnamate ester > [(2r,3s,4s,5r,6r)-3,4-dihydroxy-6-[(2s,3s,4s,5r)-3-hydroxy-2,5-bis(hydroxymethyl)-4-[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]oxy-5-[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (e)-3-(4-hydroxyphenyl)prop-2-enoate
... > 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 > [(2r,3s,4s,5r,6r)-3,4-dihydroxy-6-[(2s,3s,4s,5r)-3-hydroxy-2,5-bis(hydroxymethyl)-4-[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]oxy-5-[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (e)-3-(4-hydroxyphenyl)prop-2-enoate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > cinnamate ester > [(2r,3s,4s,5r,6r)-3,4-dihydroxy-6-[(2s,3s,4s,5r)-3-hydroxy-2,5-bis(hydroxymethyl)-4-[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]oxy-5-[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (e)-3-(4-hydroxyphenyl)prop-2-enoate
... > 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 > [(2r,3s,4s,5r,6r)-3,4-dihydroxy-6-[(2s,3s,4s,5r)-3-hydroxy-2,5-bis(hydroxymethyl)-4-[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]oxy-5-[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (e)-3-(4-hydroxyphenyl)prop-2-enoate

Preferred term

[(2r,3s,4s,5r,6r)-3,4-dihydroxy-6-[(2s,3s,4s,5r)-3-hydroxy-2,5-bis(hydroxymethyl)-4-[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]oxy-5-[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (e)-3-(4-hydroxyphenyl)prop-2-enoate  

Type

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

Broader concept

charge

  • 0

formula

  • C39H40O17

inchi

  • InChI=1S/C39H40O17/c40-19-28-35(53-31(46)17-8-23-3-12-26(43)13-4-23)37(50)39(21-41,55-28)56-38-36(54-32(47)18-9-24-5-14-27(44)15-6-24)34(49)33(48)29(52-38)20-51-30(45)16-7-22-1-10-25(42)11-2-22/h1-18,28-29,33-38,40-44,48-50H,19-21H2/b16-7+,17-8+,18-9+/t28-,29-,33-,34+,35-,36-,37+,38-,39+/m1/s1

inchikey

  • SMVZSPTUXANNGQ-OHRRTPEXSA-N

mass

  • 780.732

monoisotopicmass

  • 780.22655

smiles

  • O1[C@@](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2OC(=O)/C=C/C3=CC=C(O)C=C3)COC(=O)/C=C/C4=CC=C(O)C=C4)([C@@H](O)[C@H](OC(=O)/C=C/C5=CC=C(O)C=C5)[C@H]1CO)CO

subset

  • 2_STAR

synonym EXACT

  • [(2R,3S,4S,5R,6R)-3,4-dihydroxy-6-[(2S,3S,4S,5R)-3-hydroxy-2,5-bis(hydroxymethyl)-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]oxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:190938

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