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Concept information

Preferred term

bicycloalternarene f  

Type

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

Broader concept

charge

  • 0

formula

  • C21H30O6

inchi

  • InChI=1S/C21H30O6/c1-13(6-4-8-14(2)20(25)26)7-5-11-21(3)18(24)12-15-16(22)9-10-17(23)19(15)27-21/h7-8,17-18,23-24H,4-6,9-12H2,1-3H3,(H,25,26)/b13-7+,14-8+/t17-,18+,21+/m1/s1

inchikey

  • IJYNRXGMDZDCJS-IBHBTLNGSA-N

mass

  • 378.465

monoisotopicmass

  • 378.20424

smiles

  • O=C1C2=C(O[C@](CC/C=C(/CC/C=C(/C(=O)O)/C)/C)(C)[C@H](C2)O)[C@H](O)CC1

subset

  • 2_STAR

synonym EXACT

  • (2E,6E)-9-[(2S,3S,8R)-3,8-dihydroxy-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-chromen-2-yl]-2,6-dimethylnona-2,6-dienoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221992

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