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Concept information

Preferred term

Phexandiol B  

Type

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

Broader concept

charge

  • 0

formula

  • C12H16O3

inchi

  • InChI=1S/C12H16O3/c1-2-5-9(13)12-11(14)8-6-3-4-7-10(8)15-12/h3-4,6-7,9,11-14H,2,5H2,1H3/t9-,11+,12+/m1/s1

inchikey

  • KNPWCQKBHQBQCL-USWWRNFRSA-N

mass

  • 208.257

monoisotopicmass

  • 208.10994

smiles

  • O1C2=C(C=CC=C2)[C@@H]([C@@H]1[C@H](O)CCC)O

subset

  • 2_STAR

synonym EXACT

  • (2S,3S)-2-[(1R)-1-hydroxybutyl]-2,3-dihydro-1-benzouran-3-ol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:223163

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