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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alcohol > aliphatic alcohol > 6,7-diketothiomarinolic acid c6
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > aliphatic alcohol > 6,7-diketothiomarinolic acid c6

Preferred term

6,7-diketothiomarinolic acid c6  

Type

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

Broader concept

charge

  • 0

formula

  • C23H34O8

inchi

  • InChI=1S/C23H34O8/c1-15(13-21(27)30-11-6-4-5-10-20(25)26)12-19-23(29)22(28)18(14-31-19)9-7-8-16(2)17(3)24/h7-8,13,16-17,19,24,28H,4-6,9-12,14H2,1-3H3,(H,25,26)/b8-7+,15-13+/t16-,17+,19+/m1/s1

inchikey

  • OXYNOEAWWVRXNO-CQKYRUEOSA-N

mass

  • 438.517

monoisotopicmass

  • 438.22537

smiles

  • O=C1C(O)=C(CO[C@H]1C/C(=C/C(=O)OCCCCCC(=O)O)/C)C/C=C/[C@H]([C@@H](O)C)C

subset

  • 2_STAR

synonym EXACT

  • 6-[(E)-4-[(6S)-4-hydroxy-3-[(E,4R,5S)-5-hydroxy-4-methylhex-2-enyl]-5-oxo-2H-pyran-6-yl]-3-methylbut-2-enoyl]oxyhexanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206093

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