Mrv0541 01141414562D          

 21 20  0  0  0  0            999 V2000
    1.7239   -0.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7239   -0.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0093    0.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0093   -1.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2948   -0.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2948   -0.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4385    0.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1529   -0.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4384   -1.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1529   -0.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8674    0.3297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5818   -0.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8673   -1.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2962    0.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0105   -0.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7249    0.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4392   -0.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1535    0.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8678   -0.0838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1566    1.1549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4390   -0.9084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 18 20  2  0  0  0  0
 17 21  1  0  0  0  0
M  END
> <ID>
CHEBI:19660

> <NAME>
2-hydroxyoctadecanoic acid

> <DEFINITION>
A long-chain fatty acid that is stearic (octadecanoic) acid substituted at position 2 by a hydroxy group.

> <STAR>
3

> <SYNONYM>
alpha-hydroxystearic acid; alpha-hydroxyoctadecanoic acid; 2-hydroxystearic acid

> <IUPAC_NAME>
2-hydroxyoctadecanoic acid

> <FORMULA>
C18H36O3

> <MASS>
300.47660

> <MONOISOTOPIC_MASS>
300.26645

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17,19H,2-16H2,1H3,(H,20,21)

> <INCHIKEY>
KIHBGTRZFAVZRV-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
629-22-1

> <REAXYS_REGISTRY_NUMBER>
1791479

> <CHEMIDPLUS>
629-22-1

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA02000120

> <PUBMED_CITATION>
13661981; 21417341; 22339649; 4385515

$$$$