Mrv0541 02181510392D          

 20 19  0  0  0  0            999 V2000
    1.8828   -0.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5973   -1.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3118   -0.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0259   -1.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7404   -0.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4549   -1.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1694   -0.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8838   -1.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5983   -0.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3128   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0273   -0.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7417   -1.1752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7415   -2.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4563   -0.7629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1707   -1.1756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4565    0.0621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1682   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1680   -1.9989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8824   -2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5970   -1.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <ID>
CHEBI:84854

> <NAME>
2-hydroxyheptadecanoic acid

> <DEFINITION>
A 2-hydroxy fatty acid that is heptadecanoic acid (margaric acid) substituted by a hydroxy group at position 2.

> <STAR>
3

> <SYNONYM>
2-hydroxymargaric acid

> <IUPAC_NAME>
2-hydroxyheptadecanoic acid

> <FORMULA>
C17H34O3

> <MASS>
286.45010

> <MONOISOTOPIC_MASS>
286.25079

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCCCC(O)C(O)=O

> <INCHI>
InChI=1S/C17H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17(19)20/h16,18H,2-15H2,1H3,(H,19,20)

> <INCHIKEY>
KUZABABLVHWUGR-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
25022-78-0

> <REAXYS_REGISTRY_NUMBER>
1786816

> <CHEMIDPLUS>
25022-78-0

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01050052

> <PUBMED_CITATION>
5685991

$$$$