LMPK12020289
  LIPID_MAPS_STRUCTURE_DATABASE

 36 38  0     0  0            999 V2000
    1.7288    0.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8587    0.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069    0.7358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8723    0.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8723   -0.7633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069   -1.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8587   -0.7633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7377    0.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6034    0.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6034   -0.7633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7377   -1.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7377   -2.2677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4736    0.7386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6119    0.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4948    0.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4948    1.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6119    2.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7288    1.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2091    2.1704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3439    0.2483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7219   -1.2617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5853   -2.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4485   -2.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7219   -2.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8087   -2.9021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3118   -2.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1751   -2.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0384   -2.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0384   -3.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1751   -4.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3118   -3.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4485   -4.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5853   -3.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7219   -4.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8587   -3.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0046   -4.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  2  1  0     0  0
  4  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11  5  1  0     0  0
 11 12  1  0     0  0
  9 13  1  0     0  0
  1 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 18  1  1  0     0  0
 16 19  1  0     0  0
 15 20  1  0     0  0
 22 23  1  0     0  0
 21 24  1  0     0  0
 22 24  1  0     0  0
 25 24  2  0     0  0
 23 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
  7 21  1  1     0  0
M  END
> <LM_ID>
LMPK12020289

> <COMMON_NAME>
catechin 3-tetradecanoate

> <SYSTEMATIC_NAME>
2-(3,4-dihydroxyphenyl)-3-tetradecanoyl-chromane-5,7-diol

> <FORMULA>
C29H40O7

> <MASS>
500.28

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FGYDANFBUIXEML-LMSSTIIKSA-N

> <INCHI>
InChI=1S/C29H40O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-28(34)35-27-19-22-24(32)17-21(30)18-26(22)36-29(27)20-14-15-23(31)25(33)16-20/h14-18,27,29-33H,2-13,19H2,1H3/t27-,29+/m0/s1

> <SMILES>
C1(C=CC(O)=C(O)C=1)[C@@H]1[C@@H](OC(=O)CCCCCCCCCCCCC)CC2C(O)=CC(O)=CC=2O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11488932

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
21622140

$$$$