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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbonyl compound > ketone > cyclic ketone > quinone > p-quinones > prenylquinone > 12-hydroxytauranin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > cyclic ketone > quinone > p-quinones > prenylquinone > 12-hydroxytauranin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > cyclic ketone > quinone > p-quinones > prenylquinone > 12-hydroxytauranin
... > 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 > cyclic ketone > quinone > p-quinones > prenylquinone > 12-hydroxytauranin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > quinone > p-quinones > prenylquinone > 12-hydroxytauranin

Preferred term

12-hydroxytauranin  

Type

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

Broader concept

charge

  • 0

formula

  • C22H30O5

inchi

  • InChI=1S/C22H30O5/c1-13-5-6-18-21(2,12-24)7-4-8-22(18,3)16(13)10-15-17(25)9-14(11-23)19(26)20(15)27/h9,16,18,23-24,27H,1,4-8,10-12H2,2-3H3/t16-,18-,21+,22+/m0/s1

inchikey

  • YHRTZMVVXZGKOK-FBRLZHCOSA-N

mass

  • 374.477

monoisotopicmass

  • 374.20932

smiles

  • O=C1C(O)=C(C(=O)C=C1CO)C[C@H]2C(=C)CC[C@@H]3[C@@]2(CCC[C@@]3(CO)C)C

subset

  • 2_STAR

synonym EXACT

  • 2-[[(1S,4aR,5S,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-3-hydroxy-5-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:224287

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