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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > trans-caffeic acid [apiosyl-(1->6)-glucosyl] ester

Preferred term

trans-caffeic acid [apiosyl-(1->6)-glucosyl] ester  

Type

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

Broader concept

charge

  • 0

formula

  • C20H26O13

has_functional_parent

inchi

  • InChI=1S/C20H26O13/c21-7-20(29)8-31-19(17(20)28)30-6-12-14(25)15(26)16(27)18(32-12)33-13(24)4-2-9-1-3-10(22)11(23)5-9/h1-5,12,14-19,21-23,25-29H,6-8H2/b4-2+

inchikey

  • LULOGYYPGZOKQW-DUXPYHPUSA-N

mass

  • 474.415

monoisotopicmass

  • 474.13734

smiles

  • O1C(OCC2OC(OC(=O)/C=C/C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)(C1)CO

subset

  • 2_STAR

synonym EXACT

  • [6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169593

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