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Chemistry, part 2

Content language

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Concept information

organooxygen compound > oxacycle > dibetaeminin b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > dibetaeminin b
... > 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 > dibetaeminin b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > dibetaeminin b

Preferred term

dibetaeminin b  

Type

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

Broader concept

charge

  • 0

formula

  • C13H22O4

inchi

  • InChI=1S/C13H22O4/c1-7(9(3)14)12(15)11-6-17-13(4)8(2)10(11)5-16-13/h7-11,14H,5-6H2,1-4H3/t7-,8-,9+,10+,11-,13+/m0/s1

inchikey

  • RLTGJZSHBMKGOY-URASHGAGSA-N

mass

  • 242.315

monoisotopicmass

  • 242.15181

smiles

  • O=C([C@@H]1[C@H]2[C@@H]([C@@](C)(OC1)OC2)C)[C@H]([C@H](O)C)C

subset

  • 2_STAR

synonym EXACT

  • (2S,3R)-1-[(1R,4R,5R,8S)-1,8-dimethyl-2,7-dioxabicyclo[3.2.1]octan-4-yl]-3-hydroxy-2-methylbutan-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227391

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