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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > 5beta-hydroxy-cis-dehydrocrotonin
... > 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 > alicyclic ketone > cyclohexenones > 5beta-hydroxy-cis-dehydrocrotonin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > 5beta-hydroxy-cis-dehydrocrotonin

Preferred term

5beta-hydroxy-cis-dehydrocrotonin  

Type

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

Broader concept

charge

  • 0

formula

  • C18H20O5

inchi

  • InChI=1S/C18H20O5/c1-11-2-5-17(21)6-3-13(19)8-15(17)18(11)9-14(23-16(18)20)12-4-7-22-10-12/h3-4,6-7,10-11,14-15,21H,2,5,8-9H2,1H3/t11-,14-,15+,17+,18-/m1/s1

inchikey

  • GVAHPQGSIBNUKI-WUARAQQHSA-N

mass

  • 316.353

monoisotopicmass

  • 316.13107

smiles

  • O1C(=O)[C@]2([C@@]3([C@](O)(CC[C@H]2C)C=CC(=O)C3)[H])C[C@@H]1C=4C=COC4

subset

  • 2_STAR

synonym EXACT

  • (4aS,5'R,7R,8R,8aR)-5'-(uran-3-yl)-4a-hydroxy-7-methylspiro[5,6,7,8a-tetrahydro-1H-naphthalene-8,3'-oxolane]-2,2'-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:229018

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