LMPK12112878
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0  0  0  0  0  0  0  0999 V2000
    6.2728    7.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2728    6.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9891    6.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7053    6.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7053    7.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9891    7.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4216    6.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1379    6.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1379    7.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4216    7.7284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4216    5.4293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8539    7.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5840    7.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3140    7.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3140    8.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5840    8.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8539    8.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8844    6.0932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4862    7.5704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4862    6.2321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9891    5.2474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0438    8.9926    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>


> <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>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9883305

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$