LMPK12113050
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.2335    7.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2335    6.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9125    6.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5916    6.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5916    7.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9125    7.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2706    6.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9497    6.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9497    7.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2706    7.5998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2706    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6287    7.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3208    7.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0128    7.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0128    8.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3208    8.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6287    8.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.0317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9125    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3208    9.5826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9497    8.7910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.5998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6919    8.7910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5640    8.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6287    6.0317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6858    6.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  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
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
  1 22  1  0  0  0  0
 15 24  1  0  0  0  0
  8 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113050

> <COMMON_NAME>
Apuleisin

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H16O9

> <MASS>
376.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GNHURUAFLJVHLD-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O9/c1-24-8-5-4-7(12(19)13(8)20)17-18(26-3)16(23)11-9(27-17)6-10(25-2)14(21)15(11)22/h4-6,19-22H,1-3H3

> <SMILES>
C1(OC)=CC2OC(C3C(O)=C(O)C(OC)=CC=3)=C(OC)C(=O)C=2C(O)=C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180423

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259892

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$