Ketcher 10161909152D 1   1.00000     0.00000     0

  4  3  0     0  0            999 V2000
   -0.3798   -0.6687    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    0.4863   -0.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523   -0.6687    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    0.4863    0.8313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  2  4  1  0     0  0
M  END
> <ID>
CHEBI:35681

> <NAME>
secondary alcohol

> <DEFINITION>
A secondary alcohol is a compound in which a hydroxy group, ‒OH, is attached to a saturated carbon atom which has two other carbon atoms attached to it.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:9077; CHEBI:26617; CHEBI:8741; CHEBI:16339; CHEBI:13425; CHEBI:13686; CHEBI:58662

> <SYNONYM>
secondary alcohols; Secondary alcohol; R-CHOH-R'; R-CHOH-R'; a secondary alcohol

> <FORMULA>
CH2OR2

> <MASS>
30.026

> <MONOISOTOPIC_MASS>
30.01056

> <CHARGE>
0

> <SMILES>
*C(*)O

> <KEGG_COMPOUND_ACCESSION>
C01612

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