Mrv1652305221921252D          

 23 22  0  0  0  0            999 V2000
   -0.3829   -3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3829   -3.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3316   -2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0974   -4.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3316   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8118   -3.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5263   -4.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5263   -5.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2408   -5.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2408   -6.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9552   -6.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9552   -7.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6697   -8.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6697   -8.8539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3842   -7.6164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  3  5  1  4  0  0  0
  6  4  2  0  0  0  0
  7  5  1  0  0  0  0
  6  8  1  4  0  0  0
  9  7  2  0  0  0  0
 10  8  1  0  0  0  0
  9 11  1  4  0  0  0
 12 10  2  0  0  0  0
 13 11  1  0  0  0  0
 12 14  1  4  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  2  0  0  0  0
 23 20  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB023796

> <DATABASE_NAME>
foodb

> <SMILES>
OCCCCCC=CCC=CCC=CCC=CCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12,21H,2,5,8,11,13-19H2,(H,22,23)

> <INCHI_KEY>
NNDIXBJHNLFJJP-UHFFFAOYSA-N

> <FORMULA>
C20H32O3

> <MOLECULAR_WEIGHT>
320.4663

> <EXACT_MASS>
320.23514489

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
39.01282152205239

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
20-hydroxyicosa-5,8,11,14-tetraenoic acid

> <ALOGPS_LOGP>
5.87

> <JCHEM_LOGP>
5.150492194333333

> <ALOGPS_LOGS>
-5.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
16.843936486031673

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.819771907472209

> <JCHEM_PKA_STRONGEST_BASIC>
-1.9922622479596956

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
101.88269999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.19e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
20-hydroxyarachidonic acid

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB023796

> <GENERIC_NAME>
20-Hydroxyeicosatetraenoic acid

$$$$