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Concept information

Preferred term

فندلریک اسید A  

Type

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

charge

  • 0

formula

  • C28H42O8

inchi

  • InChI=1S/C28H42O8/c1-15-21(32-6)19(23(29)30)18-20(25(34-8)36-24(18)33-7)22(15)35-14-17-27(4)12-9-11-26(2,3)16(27)10-13-28(17,5)31/h16-17,24-25,31H,9-14H2,1-8H3,(H,29,30)/t16-,17+,24-,25+,27-,28+/m0/s1

inchikey

  • XPNNJVKLBKAGMX-ODGCFDFGSA-N

mass

  • 506.636

monoisotopicmass

  • 506.28797

smiles

  • O=C(O)C1=C(OC)C(=C(OC[C@H]2[C@](O)(CC[C@@H]3[C@@]2(CCCC3(C)C)C)C)C4=C1[C@H](O[C@H]4OC)OC)C

subset

  • 2_STAR

synonym EXACT

  • (1R,3S)-7-[[(1S,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-1,3,5-trimethoxy-6-methyl-1,3-dihydro-2-benzouran-4-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:211502

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