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Concept information

Preferred term

کوکلیوکینون E  

Type

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

Broader concept

charge

  • 0

formula

  • C28H40O7

inchi

  • InChI=1S/C28H40O7/c1-8-14(2)23(31)15(3)16-11-18(29)17-12-19-27(6,35-25(17)24(16)32)10-9-21-28(19,7)20(30)13-22(34-21)26(4,5)33/h11,14-15,19-22,30,33H,8-10,12-13H2,1-7H3/t14-,15-,19-,20-,21+,22+,27+,28-/m0/s1

inchikey

  • HXPBRLMQASJJQR-YRDJGWMFSA-N

mass

  • 488.621

monoisotopicmass

  • 488.27740

smiles

  • O=C1C=2O[C@]3([C@@H]([C@@]4([C@H](O[C@@H](C(O)(C)C)C[C@@H]4O)CC3)C)CC2C(=O)C=C1[C@@H](C(=O)[C@H](CC)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,3R,4aR,6aR,12aR,12bS)-1-hydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-9-[(2S,4S)-4-methyl-3-oxohexan-2-yl]-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthene-8,11-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217578

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