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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > phenols > benzenediols > catechols > alkyl caffeate ester > (s)-1'-methylbutyl caffeate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > benzenediols > catechols > alkyl caffeate ester > (s)-1'-methylbutyl caffeate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenols > benzenediols > catechols > alkyl caffeate ester > (s)-1'-methylbutyl caffeate
... > 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 > phenols > benzenediols > catechols > alkyl caffeate ester > (s)-1'-methylbutyl caffeate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenols > benzenediols > catechols > alkyl caffeate ester > (s)-1'-methylbutyl caffeate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > alkyl caffeate ester > (s)-1'-methylbutyl caffeate
... > 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 > alkyl caffeate ester > (s)-1'-methylbutyl caffeate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > alkyl caffeate ester > (s)-1'-methylbutyl caffeate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > cinnamate ester > alkyl caffeate ester > (s)-1'-methylbutyl caffeate
... > 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 > alkyl caffeate ester > (s)-1'-methylbutyl caffeate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > cinnamate ester > alkyl caffeate ester > (s)-1'-methylbutyl caffeate
... > 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 > alkyl caffeate ester > (s)-1'-methylbutyl caffeate

Preferred term

(s)-1'-methylbutyl caffeate  

Type

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

Broader concept

charge

  • 0

formula

  • C14H18O4

has_functional_parent

has_role

inchi

  • InChI=1S/C14H18O4/c1-3-4-10(2)18-14(17)8-6-11-5-7-12(15)13(16)9-11/h5-10,15-16H,3-4H2,1-2H3/b8-6+/t10-/m0/s1

inchikey

  • AGXDVPULWUXVDT-PCGIRMHASA-N

mass

  • 250.29030

monoisotopicmass

  • 250.12051

smiles

  • CCC[C@H](C)OC(=O)/C=C/c1ccc(O)c(O)c1

subset

  • 3_STAR

synonym EXACT

  • (2S)-pentan-2-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:70482

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