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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > gamma-lactone > marrubiin
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > gamma-lactone > marrubiin
... > 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 > marrubiin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > gamma-lactone > marrubiin
organooxygen compound > ester > lactone > gamma-lactone > marrubiin
organooxygen compound > oxacycle > lactone > gamma-lactone > marrubiin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > gamma-lactone > marrubiin
... > 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 > marrubiin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > gamma-lactone > marrubiin

Preferred term

marrubiin  

Type

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

Broader concept

charge

  • 0

formula

  • C20H28O4

inchi

  • InChI=1S/C20H28O4/c1-13-11-15-16-18(2,17(21)24-15)7-4-8-19(16,3)20(13,22)9-5-14-6-10-23-12-14/h6,10,12-13,15-16,22H,4-5,7-9,11H2,1-3H3/t13-,15-,16+,18+,19+,20-/m1/s1

inchikey

  • HQLLRHCTVDVUJB-OBHOOXMTSA-N

mass

  • 332.435

monoisotopicmass

  • 332.19876

smiles

  • C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]1(O)CCc1ccoc1

subset

  • 2_STAR

synonym EXACT

  • Marrubiin

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:6696

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