LMPK12112878
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0  0  0  0  0  0  0  0999 V2000
    7.6034    8.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6034    7.8639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4717    7.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3398    7.8639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3398    8.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4717    9.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2081    7.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0763    7.8639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0763    8.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2081    9.3678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2081    6.5810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9442    9.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8292    8.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7140    9.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7140   10.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8292   10.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9442   10.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9812    7.3857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500    9.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500    7.5541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4717    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5986   10.9002    0.0000 O   0  0  0  0  0  0  0  0  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
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21  2  1  0  0  0  0
  3 22  1  0  0  0  0
 15 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112878

> <COMMON_NAME>
Gomphrenol

> <SYSTEMATIC_NAME>
3,5,4'-Trihydroxy-6,7-methylenedioxyflavone

> <FORMULA>
C16H10O7

> <MASS>
314.04

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WBQNGHIOSSPSDW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H10O7/c17-8-3-1-7(2-4-8)15-14(20)12(18)11-9(23-15)5-10-16(13(11)19)22-6-21-10/h1-5,17,19-20H,6H2

> <SMILES>
C12OCOC1=C(O)C1C(=O)C(O)=C(C3C=CC(O)=CC=3)OC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
230112

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9883305

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 223891

> <CITATION>
-

$$$$