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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 > beta-hydroxy ketone > (+)-aspermytin a
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > beta-hydroxy ketone > (+)-aspermytin a
organooxygen compound > carbonyl compound > ketone > beta-hydroxy ketone > (+)-aspermytin a
... > 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 > beta-hydroxy ketone > (+)-aspermytin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > beta-hydroxy ketone > (+)-aspermytin a

Preferred term

(+)-aspermytin a  

Type

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

Broader concept

charge

  • 0

formula

  • C16H26O3

inchi

  • InChI=1S/C16H26O3/c1-11-4-5-13-12(10-11)6-8-15(2,19)16(13,3)14(18)7-9-17/h6,8,11-13,17,19H,4-5,7,9-10H2,1-3H3/t11-,12-,13-,15+,16-/m0/s1

inchikey

  • RYBXJAJHOPCXHS-RDUHTLEXSA-N

mass

  • 266.381

monoisotopicmass

  • 266.18819

smiles

  • O[C@]1([C@]([C@@]2([C@](C[C@H](CC2)C)(C=C1)[H])[H])(C)C(=O)CCO)C

subset

  • 2_STAR

synonym EXACT

  • 1-[(1R,2R,4aR,6S,8aS)-2-hydroxy-1,2,6-trimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]-3-hydroxypropan-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181609

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