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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > toblerol a
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > toblerol a

Preferred term

toblerol a  

Type

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

Broader concept

charge

  • 0

formula

  • C12H20O4

inchi

  • InChI=1S/C12H20O4/c1-2-3-7(13)10-12(16-10)11-9(15-11)5-6-4-8(6)14/h6-14H,2-5H2,1H3/t6-,7+,8+,9+,10-,11+,12+/m0/s1

inchikey

  • CPUHHIFVTIWVRS-LUSRZYESSA-N

mass

  • 228.288

monoisotopicmass

  • 228.13616

smiles

  • O1[C@@H]([C@@H]2O[C@@H]2C[C@H]3[C@H](O)C3)[C@@H]1[C@H](O)CCC

subset

  • 2_STAR

synonym EXACT

  • (1R,2S)-2-[[(2R,3R)-3-[(2R,3S)-3-[(1R)-1-hydroxybutyl]oxiran-2-yl]oxiran-2-yl]methyl]cyclopropan-1-ol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219663

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