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Chemistry, part 2

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Concept information

organooxygen compound > oxacycle > vaccinol f
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > vaccinol f
... > 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 > vaccinol f
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > vaccinol f

Preferred term

vaccinol f  

Type

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

Broader concept

charge

  • 0

formula

  • C17H22O5

inchi

  • InChI=1S/C17H22O5/c1-9(2)4-5-11-6-7-12(19)16-15(11)13(20)8-14(10(3)18)22-17(16)21/h4,6-7,10,13-14,18-20H,5,8H2,1-3H3/t10-,13-,14-/m1/s1

inchikey

  • CEGDGMVESFOELX-LERXQTSPSA-N

mass

  • 306.358

monoisotopicmass

  • 306.14672

smiles

  • O=C1O[C@@H]([C@H](O)C)C[C@H](C=2C1=C(O)C=CC2CC=C(C)C)O

subset

  • 2_STAR

synonym EXACT

  • (3R,5R)-5,9-dihydroxy-3-[(1R)-1-hydroxyethyl]-6-(3-methylbut-2-enyl)-4,5-dihydro-3H-2-benzoxepin-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206919

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