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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > delta-lactone > ck13a
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > delta-lactone > ck13a
... > 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 > carboxylic ester > lactone > delta-lactone > ck13a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > delta-lactone > ck13a
organooxygen compound > ester > lactone > delta-lactone > ck13a
organooxygen compound > oxacycle > lactone > delta-lactone > ck13a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > delta-lactone > ck13a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > delta-lactone > ck13a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > delta-lactone > ck13a

Preferred term

ck13a  

Type

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

Broader concept

charge

  • 0

formula

  • C12H20O4

inchi

  • InChI=1S/C12H20O4/c1-5-9(13)6(2)11-7(3)10(14)8(4)12(15)16-11/h6-9,11,13H,5H2,1-4H3/t6-,7-,8+,9+,11?/m0/s1

inchikey

  • FADIVWYZKATBNV-DMSCBXGJSA-N

mass

  • 228.288

monoisotopicmass

  • 228.13616

smiles

  • O=C1OC([C@@H](C)C([C@H]1C)=O)[C@H]([C@H](O)CC)C

subset

  • 2_STAR

synonym EXACT

  • (3R,5R)-6-[(2S,3R)-3-hydroxypentan-2-yl]-3,5-dimethyloxane-2,4-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:205914

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