LMPK12020288
  LIPID_MAPS_STRUCTURE_DATABASE

 34 36  0     0  0            999 V2000
    1.7285    0.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8585    0.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069    0.7356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8722    0.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8722   -0.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069   -1.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8585   -0.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7374    0.7356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6030    0.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6030   -0.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7374   -1.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7374   -2.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4730    0.7384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6114    0.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4942    0.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4942    1.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6114    2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7285    1.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2084    2.1700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3431    0.2483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7216   -1.2615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5848   -2.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4479   -2.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7216   -2.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8086   -2.9016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3110   -2.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1742   -2.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0374   -2.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0374   -3.7531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1742   -4.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3110   -3.7531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4479   -4.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5848   -3.7531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7216   -4.2514    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
  7 21  1  1     0  0
M  END
> <LM_ID>
LMPK12020288

> <COMMON_NAME>
catechin 3-dodecanoate

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

> <FORMULA>
C27H36O7

> <MASS>
472.25

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KOSUCDKDCCNEII-AHKZPQOWSA-N

> <INCHI>
InChI=1S/C27H36O7/c1-2-3-4-5-6-7-8-9-10-11-26(32)33-25-17-20-22(30)15-19(28)16-24(20)34-27(25)18-12-13-21(29)23(31)14-18/h12-16,25,27-31H,2-11,17H2,1H3/t25-,27+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11340426

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$