LMPK12112875
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.7134    7.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7134    6.9814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3836    6.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0537    6.9814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0537    7.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3836    8.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7239    6.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3941    6.9814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3941    7.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7239    8.1421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7239    5.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0642    8.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7473    7.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4304    8.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4304    8.9308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7473    9.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0642    8.9308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0642    6.5946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1005    9.3178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0433    6.5946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0433    8.1421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0433    9.3469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3836    5.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3403    5.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  8 18  1  0  0  0  0
 15 19  1  0  0  0  0
  2 20  1  0  0  0  0
  1 22  1  0  0  0  0
  3 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112875

> <COMMON_NAME>
Candidol

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H16O7

> <MASS>
344.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QWPGGRVLMOVFDM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O7/c1-22-12-8-11-13(18(24-3)17(12)23-2)14(20)15(21)16(25-11)9-4-6-10(19)7-5-9/h4-8,19,21H,1-3H3

> <SMILES>
C1(OC)=CC2OC(C3C=CC(O)=CC=3)=C(O)C(=O)C=2C(OC)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259771

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$