LMPK12111012
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
   13.3426   10.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3426    9.7322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1192    9.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8956    9.7322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8956   10.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1192   11.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6720    9.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4484    9.7322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4484   10.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6720   11.0770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6720    8.6053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2248   11.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0162   10.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8074   11.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8074   11.9908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0162   12.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2248   11.9908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5986   12.4474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1192    8.5843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4740    8.7089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0171    9.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1032    9.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4740   10.2916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6465   10.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5988   11.0581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0246   10.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1032   11.0830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327   10.2916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7577    6.6158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8719    5.9447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3528    7.2410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4140    8.8975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1789    8.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9982    7.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0525    6.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2931    7.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4738    8.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7143    9.2095    0.0000 C   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
 15 18  1  0  0  0  0
 19  3  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 24  1  0  0  0  0
 21 23  2  0  0  0  0
  1 25  1  0  0  0  0
 25 26  1  0  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
 37 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 37 38  1  1     0  0
 33 19  1  1     0  0
 34 29  1  6     0  0
 35 30  1  1     0  0
 36 31  1  6     0  0
 20 38  1  0     0  0
M  END
> <LM_ID>
LMPK12111012

> <COMMON_NAME>
Apigenin 7-methyl ether 5-(6''-malonylglucoside)

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H24O13

> <MASS>
532.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WZEYEVDCZWOQJH-GOZZSVHWSA-N

> <INCHI>
InChI=1S/C25H24O13/c1-34-13-6-16-21(14(27)8-15(36-16)11-2-4-12(26)5-3-11)17(7-13)37-25-24(33)23(32)22(31)18(38-25)10-35-20(30)9-19(28)29/h2-8,18,22-26,31-33H,9-10H2,1H3,(H,28,29)/t18-,22-,23+,24-,25-/m1/s1

> <SMILES>
C1(OC)=CC2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(O)=O)O2)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14730812

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$