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Concept information

Preferred term

کوهیرین بی  

Type

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

Broader concept

charge

  • 0

formula

  • C26H30O7

inchi

  • InChI=1S/C26H30O7/c1-5-6-7-8-9-15(2)25(31)33-26(4)22(29)12-17-11-21(32-14-19(17)24(26)30)23-16(3)10-18(27)13-20(23)28/h9,11-12,14,18,27H,5-8,10,13H2,1-4H3/b15-9+/t18?,26-/m0/s1

inchikey

  • GKVWLPVTYNGYQO-TZNQKNEJSA-N

mass

  • 454.519

monoisotopicmass

  • 454.19915

smiles

  • O=C1C=2C(C=C(C=3C(=O)CC(O)CC3C)OC2)=CC([C@@]1(OC(=O)/C(=C/CCCCC)/C)C)=O

subset

  • 2_STAR

synonym EXACT

  • [(7S)-3-(4-hydroxy-2-methyl-6-oxocyclohexen-1-yl)-7-methyl-6,8-dioxoisochromen-7-yl] (E)-2-methyloct-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:197626

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