LMPK13120006
  LIPID_MAPS_STRUCTURE_DATABASE

 26 26  0  0  0  0  0  0  0  0999 V2000
    7.9251    8.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8067    8.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8067    7.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6886    8.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6929    6.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2176    6.7763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5746    8.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6886    9.7267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5746    7.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4564    6.6745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3382    7.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2157    6.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0933    7.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9750    6.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4514    8.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3314    8.2060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4484    9.7246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0603    8.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917    8.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3268    8.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1879    9.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4582    8.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5935    8.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7249    8.6815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8600    8.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7212    9.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0     0  0
  2  4  1  0     0  0
  3  5  1  0     0  0
  3  6  1  0     0  0
  4  7  2  0     0  0
  4  8  1  0     0  0
  5  9  2  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
  7  9  1  0     0  0
  7 15  1  0     0  0
  1  2  1  0     0  0
 15 16  2  0     0  0
 15 17  1  0     0  0
  1 18  1  0     0  0
 18 19  2  0     0  0
 19 20  1  0     0  0
 19 21  1  0     0  0
 20 22  1  0     0  0
 22 23  1  0     0  0
 23 24  2  0     0  0
 24 25  1  0     0  0
 24 26  1  0     0  0
M  END
> <LM_ID>
LMPK13120006

> <COMMON_NAME>
Cannabigerolic acid

> <SYSTEMATIC_NAME>
3-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2,4-dihydroxy-6-pentyl-benzoic acid

> <FORMULA>
C22H32O4

> <MASS>
360.23

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

> <SUB_CLASS>
Other aromatic polyketides [PK1312]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
CBGA

> <INCHI_KEY>
SEEZIOZEUUMJME-FOWTUZBSSA-N

> <INCHI>
InChI=1S/C22H32O4/c1-5-6-7-11-17-14-19(23)18(21(24)20(17)22(25)26)13-12-16(4)10-8-9-15(2)3/h9,12,14,23-24H,5-8,10-11,13H2,1-4H3,(H,25,26)/b16-12+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
67081

> <ABBREVIATION>
-

> <CAYMAN_ID>
9001572

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6449999

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3483

> <CITATION>
5879350

$$$$