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Concept information

Preferred term

Cochlearol N  

Type

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

Broader concept

charge

  • 0

formula

  • C21H26O7

inchi

  • InChI=1S/C21H26O7/c1-20(2)14-5-6-21(19(27)28,9-11(14)7-16(24)18(20)26)10-17(25)13-8-12(22)3-4-15(13)23/h3-4,7-8,14,16,18,22-24,26H,5-6,9-10H2,1-2H3,(H,27,28)/t14-,16+,18+,21+/m0/s1

inchikey

  • VLKMPIWFTPSHEP-BHNHYPNCSA-N

mass

  • 390.432

monoisotopicmass

  • 390.16785

smiles

  • O=C(O)[C@]1(CC2=C[C@@H](O)[C@@H](O)C([C@H]2CC1)(C)C)CC(=O)C3=C(O)C=CC(=C3)O

subset

  • 2_STAR

synonym EXACT

  • (2R,4aS,6S,7R)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6,7-dihydroxy-5,5-dimethyl-1,3,4,4a,6,7-hexahydronaphthalene-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227595

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