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Chemistry, part 2

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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > gamma-lactone > 14-epiandrographolide, >=95% (lc/ms-elsd)
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > gamma-lactone > 14-epiandrographolide, >=95% (lc/ms-elsd)
... > 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 > gamma-lactone > 14-epiandrographolide, >=95% (lc/ms-elsd)
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > gamma-lactone > 14-epiandrographolide, >=95% (lc/ms-elsd)
organooxygen compound > ester > lactone > gamma-lactone > 14-epiandrographolide, >=95% (lc/ms-elsd)
organooxygen compound > oxacycle > lactone > gamma-lactone > 14-epiandrographolide, >=95% (lc/ms-elsd)
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > gamma-lactone > 14-epiandrographolide, >=95% (lc/ms-elsd)
... > 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 > gamma-lactone > 14-epiandrographolide, >=95% (lc/ms-elsd)
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > gamma-lactone > 14-epiandrographolide, >=95% (lc/ms-elsd)

Preferred term

14-epiandrographolide, >=95% (lc/ms-elsd)  

Type

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

Broader concept

charge

  • 0

formula

  • C20H30O5

inchi

  • InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15+,16+,17-,19+,20+/m1/s1

inchikey

  • BOJKULTULYSRAS-NPWGMBKGSA-N

mass

  • 350.455

monoisotopicmass

  • 350.20932

smiles

  • O[C@H]1[C@]([C@@]2([C@]([C@@H](C(CC2)=C)C/C=C/3/[C@@H](O)COC3=O)(CC1)C)[H])(CO)C

subset

  • 2_STAR

synonym EXACT

  • (3E,4R)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181559

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