5282925
  CDK     1106201723

 20 19  0  0  0  0  0  0  0  0999 V2000
    3.5220   -0.4909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    0.3341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2393    0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5248   -0.4909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944    0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234    0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2379    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9524    0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3814    0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0958    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8103    0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5248    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0 
  2 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
  4 20  2  0  0  0  0 
  5  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
 10 12  1  0  0  0  0 
 11 13  1  0  0  0  0 
 12 14  1  0  0  0  0 
 13 15  1  0  0  0  0 
 14 16  1  0  0  0  0 
 15 17  1  0  0  0  0 
 16 19  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 20  1  0  0  0  0 
M  END
> <ID>
CHEBI:165423

> <NAME>
Ustilic acid A

> <STAR>
2

> <IUPAC_NAME>
15,16-dihydroxyhexadecanoic acid

> <FORMULA>
C16H32O4

> <MASS>
288.428

> <MONOISOTOPIC_MASS>
288.23006

> <CHARGE>
0

> <SMILES>
OC(CCCCCCCCCCCCCC(O)=O)CO

> <INCHI>
InChI=1S/C16H32O4/c17-14-15(18)12-10-8-6-4-2-1-3-5-7-9-11-13-16(19)20/h15,17-18H,1-14H2,(H,19,20)

> <INCHIKEY>
LFTOYWCRNBAZKX-UHFFFAOYSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01050084

$$$$