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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > gamma-lactone > butan-4-olide > (3r,4r)-4-(hydroxymethyl)-3-(6-methylheptanoyl)oxolan-2-one
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > gamma-lactone > butan-4-olide > (3r,4r)-4-(hydroxymethyl)-3-(6-methylheptanoyl)oxolan-2-one
... > organooxygen compound > ester > lactone > gamma-lactone > butan-4-olide > (3r,4r)-4-(hydroxymethyl)-3-(6-methylheptanoyl)oxolan-2-one
... > organooxygen compound > oxacycle > lactone > gamma-lactone > butan-4-olide > (3r,4r)-4-(hydroxymethyl)-3-(6-methylheptanoyl)oxolan-2-one
... > organooxygen compound > oxacycle > oxolanes > tetrahydrofuranone > butan-4-olide > (3r,4r)-4-(hydroxymethyl)-3-(6-methylheptanoyl)oxolan-2-one

Preferred term

(3r,4r)-4-(hydroxymethyl)-3-(6-methylheptanoyl)oxolan-2-one  

Type

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

charge

  • 0

formula

  • C13H22O4

has_functional_parent

has_role

inchi

  • InChI=1S/C13H22O4/c1-9(2)5-3-4-6-11(15)12-10(7-14)8-17-13(12)16/h9-10,12,14H,3-8H2,1-2H3/t10-,12-/m1/s1

inchikey

  • REAWNMHCBIUKLZ-ZYHUDNBSSA-N

mass

  • 242.315

monoisotopicmass

  • 242.15181

smiles

  • [C@]1([C@@](C(OC1)=O)(C(CCCCC(C)C)=O)[H])(CO)[H]

subset

  • 3_STAR

synonym EXACT

  • (3R,4R)-4-(hydroxymethyl)-3-(6-methylheptanoyl)dihydrofuran-2(3H)-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:73982

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