LMPK15020004
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0  0  0  0  0  0  0  0999 V2000
   -1.0804    0.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0804   -0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3659   -0.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3486   -0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3486    0.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3659    1.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3536   -1.1492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0804    1.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8834   -0.4183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8001    0.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5201    1.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2401    0.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9601    1.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6801    0.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4001    1.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1201    0.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8401    0.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5601    1.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2801    0.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0001    1.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7201    0.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4401    0.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1601    1.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK15020004

> <COMMON_NAME>
3-((8Z,11E,13Z)-pentadeca-8,11,13-trien-1-yl)catechol

> <SYSTEMATIC_NAME>
3-((8Z,11E,13Z)-pentadeca-8,11,13-trien-1-yl)benzene-1,2-diol

> <FORMULA>
C21H30O2

> <MASS>
314.22

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Phenolic lipids [PK15]

> <SUB_CLASS>
Alkyl catechols and derivatives [PK1502]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IYROWZYPEIMDDN-XTUOKWOTSA-N

> <INCHI>
InChI=1S/C21H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h2-5,7-8,15,17-18,22-23H,6,9-14,16H2,1H3/b3-2-,5-4+,8-7-

> <SMILES>
C1C=C(CCCCCCC/C=C\C/C=C/C=C\C)C(O)=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
71587307

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$