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Concept information

Preferred term

6-/{4-[6-carboxy-5-(2,6-dihydroxyphenyl)-3-methylcyclohex-3-en-1-yl]-3-hydroxyphenoxy/}-3,4,5-trihydroxyoxane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C26H28O12

inchi

  • InChI=1S/C26H28O12/c1-10-7-13(18(24(33)34)14(8-10)19-15(27)3-2-4-16(19)28)12-6-5-11(9-17(12)29)37-26-22(32)20(30)21(31)23(38-26)25(35)36/h2-6,8-9,13-14,18,20-23,26-32H,7H2,1H3,(H,33,34)(H,35,36)

inchikey

  • BYTBENMGSVPZAN-UHFFFAOYSA-N

mass

  • 532.498

monoisotopicmass

  • 532.15808

smiles

  • O1C(OC2=CC(O)=C(C3C(C(C=C(C3)C)C4=C(O)C=CC=C4O)C(O)=O)C=C2)C(O)C(O)C(O)C1C(O)=O

subset

  • 2_STAR

synonym EXACT

  • 6-[4-[6-carboxy-5-(2,6-dihydroxyphenyl)-3-methylcyclohex-3-en-1-yl]-3-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:168855

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