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Chemistry, part 2

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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 > olefinic compound > enone > sch 642305
... > organooxygen compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > enone > sch 642305
... > 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,beta-unsaturated ketone > enone > sch 642305
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > enone > sch 642305
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > sch 642305
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > sch 642305
... > 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 > macrocyclic lactone > sch 642305
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > sch 642305
organooxygen compound > ester > lactone > macrocyclic lactone > sch 642305
organooxygen compound > oxacycle > lactone > macrocyclic lactone > sch 642305
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > sch 642305
... > 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 > macrocyclic lactone > sch 642305
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > sch 642305
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > macrocyclic lactone > sch 642305

Preferred term

sch 642305  

Type

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

Broader concept

charge

  • 0

formula

  • C14H20O4

has_role

inchi

  • InChI=1S/C14H20O4/c1-9-4-2-3-5-10-11(8-14(17)18-9)13(16)7-6-12(10)15/h6-7,9-11,13,16H,2-5,8H2,1H3/t9-,10+,11+,13-/m0/s1

inchikey

  • WTQWDNIIFGEBSZ-WGBDABJCSA-N

mass

  • 252.30620

monoisotopicmass

  • 252.13616

smiles

  • [H][C@@]12CC(=O)O[C@@H](C)CCCC[C@@]1([H])C(=O)C=C[C@@H]2O

subset

  • 3_STAR

synonym EXACT

  • (4S,8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-2H-3-benzoxecine-2,9(1H)-dione

synonym RELATED

  • (+)-sch 642305

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:66181

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