LMPK12100082
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0  0  0  0  0  0  0  0999 V2000
    6.4226    8.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1342    9.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8454    8.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8454    7.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4226    8.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1342    7.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7113    9.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1342   10.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4226   10.4871    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7113   10.0764    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7112    7.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7112    6.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4226    6.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1342    6.7906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9836    7.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6950    7.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9836    6.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   10.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4226   11.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8456   10.4868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0120    5.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8333    5.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3282    6.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3282    5.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9836    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6391    5.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6391    6.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5569    9.2547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6950    8.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4063    8.9780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9836    8.9780    0.0000 O   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
  1  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  4  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  7  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  6  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 10 18  1  0  0  0  0
  9 19  1  0  0  0  0
  8 20  2  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 17 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 17  1  0  0  0  0
  3 28  1  0  0  0  0
 16 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
M  END
> <LM_ID>
LMPK12100082

> <COMMON_NAME>
Calophyllic acid

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H24O6

> <MASS>
420.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SSJOJPHKKKSPGS-ATVHPVEESA-N

> <INCHI>
InChI=1S/C25H24O6/c1-13-14(2)30-23-16-10-11-25(3,4)31-24(16)19(22(29)20(23)21(13)28)17(12-18(26)27)15-8-6-5-7-9-15/h5-14,29H,1-4H3,(H,26,27)/b17-12-

> <SMILES>
C12OC(C)C(C)C(=O)C=1C(O)=C(/C(/C1C=CC=CC=1)=C\C(=O)O)C1OC(C)(C)C=CC2=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178562

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257564

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$