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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 > secondary alcohol > secondary alpha-hydroxy ketone > oxosorbiquinol
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > secondary alcohol > secondary alpha-hydroxy ketone > oxosorbiquinol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alpha-hydroxy ketone > secondary alpha-hydroxy ketone > oxosorbiquinol
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alpha-hydroxy ketone > secondary alpha-hydroxy ketone > oxosorbiquinol
... > organooxygen compound > carbonyl compound > ketone > alpha-hydroxy ketone > secondary alpha-hydroxy ketone > oxosorbiquinol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > alpha-hydroxy ketone > secondary alpha-hydroxy ketone > oxosorbiquinol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > alpha-hydroxy ketone > secondary alpha-hydroxy ketone > oxosorbiquinol

Preferred term

oxosorbiquinol  

Type

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

Broader concept

charge

  • 0

formula

  • C28H32O9

inchi

  • InChI=1S/C28H32O9/c1-7-9-10-12-15(29)17-19-16(14(11-8-2)26(4,23(17)33)25(35)27(19,5)36)21(31)18-20(30)13(3)22(32)28(6,37)24(18)34/h7-12,14,16,19,29-30,32,36-37H,1-6H3/b9-7+,11-8+,12-10+,17-15-/t14-,16-,19+,26-,27+,28-/m1/s1

inchikey

  • BSXBXXRYMBMLDB-NAYJBTNJSA-N

mass

  • 512.555

monoisotopicmass

  • 512.20463

smiles

  • O=C1C(=C(O)C(C)=C([C@]1(O)C)O)C(=O)[C@H]2[C@H]3/C(/C(=O)[C@]([C@@H]2/C=C/C)(C)C([C@]3(O)C)=O)=C(/O)/C=C/C=C/C

subset

  • 2_STAR

synonym EXACT

  • (1R,3S,4S,5Z,7R,8R)-3-hydroxy-5-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,3-dimethyl-7-[(E)-prop-1-enyl]-8-[(5R)-2,4,5-trihydroxy-3,5-dimethyl-6-oxocyclohexa-1,3-diene-1-carbonyl]bicyclo[2.2.2]octane-2,6-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213760

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