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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > cinnamic acids > hydroxycinnamic acid > beta-(3,4-dihydroxyphenyl)ethyl-6-o-e-caffeoyl-o-[beta-d-apiofuranosyl-(1->2)]-beta-d-glucopyranoside
... > 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 > beta-(3,4-dihydroxyphenyl)ethyl-6-o-e-caffeoyl-o-[beta-d-apiofuranosyl-(1->2)]-beta-d-glucopyranoside
... > 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 > beta-(3,4-dihydroxyphenyl)ethyl-6-o-e-caffeoyl-o-[beta-d-apiofuranosyl-(1->2)]-beta-d-glucopyranoside
... > 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 > beta-(3,4-dihydroxyphenyl)ethyl-6-o-e-caffeoyl-o-[beta-d-apiofuranosyl-(1->2)]-beta-d-glucopyranoside
... > 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 > beta-(3,4-dihydroxyphenyl)ethyl-6-o-e-caffeoyl-o-[beta-d-apiofuranosyl-(1->2)]-beta-d-glucopyranoside

Preferred term

beta-(3,4-dihydroxyphenyl)ethyl-6-o-e-caffeoyl-o-[beta-d-apiofuranosyl-(1->2)]-beta-d-glucopyranoside  

Type

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

Broader concept

charge

  • 0

formula

  • C28H34O15

has_role

inchi

  • InChI=1S/C28H34O15/c29-12-28(38)13-41-27(25(28)37)43-24-23(36)22(35)20(11-40-21(34)6-3-14-1-4-16(30)18(32)9-14)42-26(24)39-8-7-15-2-5-17(31)19(33)10-15/h1-6,9-10,20,22-27,29-33,35-38H,7-8,11-13H2/b6-3+/t20-,22-,23+,24-,25+,26-,27+,28-/m1/s1

inchikey

  • NSDMGXRVIBQWAN-FQMHKDNFSA-N

mass

  • 610.56060

monoisotopicmass

  • 610.18977

smiles

  • [H][C@]1(OC[C@](O)(CO)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COC(=O)/C=C/c2ccc(O)c(O)c2)O[C@H]1OCCc1ccc(O)c(O)c1

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68341

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