LMPK12111089
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0  0  0  0  0  0  0  0999 V2000
   16.0451    9.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0451    8.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8718    7.6672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6985    8.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6985    9.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8718    9.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5252    7.6672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3517    8.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3517    9.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5252    9.5763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5252    6.9230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1782    9.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0209    9.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8633    9.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8633   10.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0209   11.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1782   10.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8718    6.8879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1997    9.6628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2080   12.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2359   11.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3021   12.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4120   11.7358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3021   13.3115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2080   13.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1547    7.6305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9440    7.8962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7859    8.1006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8884   10.0680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6694   10.7505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0646   11.7420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1231    9.7633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4952    8.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4137    8.9839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9651    9.9676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5928   10.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1441   11.8346    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
  3 18  1  0  0  0  0
 19  1  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 20 25  2  0  0  0  0
  2 26  1  0  0  0  0
 31 37  1  0     0  0
 36 30  1  0     0  0
 30 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  1     0  0
 32 19  1  1     0  0
 33 27  1  6     0  0
 34 28  1  1     0  0
 35 29  1  6     0  0
 31 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111089

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,6,7-Trihydroxyflavone 7-(6''-malonylglucoside)

> <FORMULA>
C24H22O13

> <MASS>
518.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NLRUTPIOMCJQKC-ZRKQWZGSSA-N

> <INCHI>
InChI=1S/C24H22O13/c25-11-6-12(10-4-2-1-3-5-10)35-13-7-14(19(29)21(31)18(11)13)36-24-23(33)22(32)20(30)15(37-24)9-34-17(28)8-16(26)27/h1-7,15,20,22-24,29-33H,8-9H2,(H,26,27)/t15-,20-,22+,23-,24-/m1/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(O)=O)O2)=CC2OC(C3C=CC=CC=3)=CC(=O)C=2C(O)=C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258411

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 223054

> <CITATION>
-

$$$$