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Concept information

Preferred term

کوکلیوکینون N  

Type

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

Broader concept

charge

  • 0

formula

  • C30H45NO8

inchi

  • InChI=1S/C30H45NO8/c1-9-14(2)25(37-16(4)32)15(3)19-21(31)22(33)20-24(35)27-29(7)12-10-17(28(5,6)36)38-18(29)11-13-30(27,8)39-26(20)23(19)34/h14-15,17-18,24-25,27,35-36H,9-13,31H2,1-8H3/t14-,15-,17+,18+,24+,25+,27+,29-,30+/m0/s1

inchikey

  • DIJXBWMDIIEPJX-QOAJJVBYSA-N

mass

  • 547.689

monoisotopicmass

  • 547.31452

smiles

  • O=C1C(N)=C(C(=O)C2=C1[C@@H](O)[C@@H]3[C@@]4([C@H](O[C@@H](C(O)(C)C)CC4)CC[C@]3(O2)C)C)[C@@H]([C@H](OC(=O)C)[C@H](CC)C)C

subset

  • 2_STAR

synonym EXACT

  • [(2S,3R,4S)-2-[(3R,4aR,6aR,12S,12aS,12bR)-10-amino-12-hydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:224611

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