LMPK13120008
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0  0  0  0  0  0  0  0999 V2000
   11.5525   -5.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4341   -6.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4341   -7.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3160   -5.9026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3203   -7.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8451   -7.8315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2020   -6.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3160   -4.8811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2020   -7.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0838   -7.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9656   -7.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8431   -7.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7207   -7.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6024   -7.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6877   -6.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8192   -5.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9543   -6.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8154   -4.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0857   -5.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2209   -6.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3523   -5.9263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4874   -6.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3486   -4.9255    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
  1  2  1  0     0  0
  1 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 16 18  1  0     0  0
 17 19  1  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
 21 23  1  0     0  0
M  END
> <LM_ID>
LMPK13120008

> <COMMON_NAME>
Cannabigerol

> <SYSTEMATIC_NAME>
2-((2E)-3,7-Dimethylocta-2,6-dienyl)-5-pentylbenzene-1,3-diol

> <FORMULA>
C21H32O2

> <MASS>
316.24

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

> <SUB_CLASS>
Other aromatic polyketides [PK1312]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
CBG

> <INCHI_KEY>
QXACEHWTBCFNSA-SFQUDFHCSA-N

> <INCHI>
InChI=1S/C21H32O2/c1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b17-12+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
69477

> <ABBREVIATION>
-

> <CAYMAN_ID>
15293

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5315659

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3483

> <CITATION>
5879350

$$$$