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Chemistry, part 2

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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > cinnamic acids > hydroxycinnamic acid > [(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-(2-hydroxycyclohexyl)oxyoxan-2-yl]methyl (e)-3-(3,4-dihydroxyphenyl)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 oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > cinnamic acids > hydroxycinnamic acid > [(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-(2-hydroxycyclohexyl)oxyoxan-2-yl]methyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > cinnamic acids > hydroxycinnamic acid > [(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-(2-hydroxycyclohexyl)oxyoxan-2-yl]methyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > cinnamic acids > hydroxycinnamic acid > [(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-(2-hydroxycyclohexyl)oxyoxan-2-yl]methyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > cinnamic acids > hydroxycinnamic acid > [(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-(2-hydroxycyclohexyl)oxyoxan-2-yl]methyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Preferred term

[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-(2-hydroxycyclohexyl)oxyoxan-2-yl]methyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate  

Type

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

Broader concept

charge

  • 0

formula

  • C21H28O10

inchi

  • InChI=1S/C21H28O10/c22-12-7-5-11(9-14(12)24)6-8-17(25)29-10-16-18(26)19(27)20(28)21(31-16)30-15-4-2-1-3-13(15)23/h5-9,13,15-16,18-24,26-28H,1-4,10H2/b8-6+/t13?,15?,16-,18-,19+,20-,21-/m1/s1

inchikey

  • CSGSKMJWQQEEQK-NHCPJIJJSA-N

mass

  • 440.445

monoisotopicmass

  • 440.16825

smiles

  • O(C1C(O)CCCC1)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)COC(=O)/C=C/C3=CC(O)=C(O)C=C3

subset

  • 2_STAR

synonym EXACT

  • [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-hydroxycyclohexyl)oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181833

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