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Concept information

Preferred term

asteltoxin b  

Type

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

Broader concept

charge

  • 0

formula

  • C23H30O8

inchi

  • InChI=1S/C23H30O8/c1-6-16-23(4,26)22(3)20(25)19(31-21(22)30-16)18-14(29-18)10-8-7-9-13-12(2)15(27-5)11-17(24)28-13/h7-11,14,16,18-21,25-26H,6H2,1-5H3/b9-7+,10-8+/t14-,16+,18+,19-,20+,21-,22+,23-/m1/s1

inchikey

  • LXWVIYYOFQQIPY-GDQRHXMPSA-N

mass

  • 434.485

monoisotopicmass

  • 434.19407

smiles

  • O=C1OC(=C(C)C(=C1)OC)/C=C/C=C/[C@H]2O[C@@H]2[C@H]3O[C@H]4O[C@@H](CC)[C@]([C@]4([C@H]3O)C)(O)C

subset

  • 2_STAR

synonym EXACT

  • 6-[(1E,3E)-4-[(2R,3S)-3-[(2S,3S,3aR,4R,5S,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrouro[2,3-b]uran-5-yl]oxiran-2-yl]buta-1,3-dienyl]-4-methoxy-5-methylpyran-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206817

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