LMPK12112809
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.8683    7.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8683    6.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5435    6.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2186    6.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2186    7.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5435    7.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8937    6.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5689    6.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5689    7.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8937    7.7729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8937    5.4339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2442    7.7730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9322    7.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6203    7.7730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6203    8.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9323    8.9649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2442    8.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5435    5.4340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    6.2136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.7730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    8.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2442    6.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2442    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  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
  3 18  1  0  0  0  0
  2 19  1  0  0  0  0
  1 21  1  0  0  0  0
  8 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112809

> <COMMON_NAME>
Alnustin

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H16O6

> <MASS>
328.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GJNBMHAJVZLBEQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O6/c1-21-12-9-11-13(14(19)17(12)22-2)15(20)18(23-3)16(24-11)10-7-5-4-6-8-10/h4-9,19H,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14138832

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$