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Concept information

Preferred term

4 O 8',5' 5' Dehydrotriferulic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C30H26O12

inchi

  • InChI=1S/C30H26O12/c1-39-22-12-16(5-8-26(31)32)4-7-21(22)42-25(30(37)38)15-18-11-20(29(36)24(14-18)41-3)19-10-17(6-9-27(33)34)13-23(40-2)28(19)35/h4-15,35-36H,1-3H3,(H,31,32)(H,33,34)(H,37,38)/b8-5+,9-6+,25-15-

inchikey

  • PIXLMMCJKULCET-VVYRROKUSA-N

mass

  • 578.526

monoisotopicmass

  • 578.14243

smiles

  • O(C=1C(O)=C(C2=C(O)C(OC)=CC(=C2)/C=C/C(O)=O)C=C(C1)/C=C(/OC3=C(OC)C=C(C=C3)/C=C/C(O)=O)/C(O)=O)C

subset

  • 2_STAR

synonym EXACT

  • (Z)-3-[3-[5-[(E)-2-carboxyethenyl]-2-hydroxy-3-methoxyphenyl]-4-hydroxy-5-methoxyphenyl]-2-[4-[(E)-2-carboxyethenyl]-2-methoxyphenoxy]prop-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:176125

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