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Concept information

Preferred term

3,5-dicaffeoylaltraric acid  

Type

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

Broader concept

charge

  • 0

formula

  • C24H22O14

inchi

  • InChI=1S/C24H22O14/c25-13-5-1-11(9-15(13)27)3-7-17(29)23(37,19(31)20(32)33)21(34)24(38,22(35)36)18(30)8-4-12-2-6-14(26)16(28)10-12/h1-10,19,21,25-28,31,34,37-38H,(H,32,33)(H,35,36)/b7-3+,8-4+/t19-,21+,23+,24+/m1/s1

inchikey

  • ZZLBYYRYDLSANK-PKKGYAMASA-N

mass

  • 534.424

monoisotopicmass

  • 534.10096

smiles

  • O[C@]([C@H](O)[C@@](O)(C(=O)/C=C/C1=CC(O)=C(O)C=C1)C(O)=O)([C@H](O)C(O)=O)C(=O)/C=C/C2=CC(O)=C(O)C=C2

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:141134

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