LMPK12130010
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
   13.9209    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9209    8.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0739    9.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2268    8.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2268    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0739    7.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8511    7.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4260    8.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8511    8.9730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3799    9.1598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1465    8.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    8.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0784    7.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0583    7.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5479    8.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0583    9.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0784    9.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5260    8.1818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0865    6.5117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5472    9.8773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0739   10.1379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3429    7.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2937    7.4072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2862    9.1862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8492   10.0581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3143   10.7772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3577    9.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8392    8.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8121    8.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3085    9.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8269   10.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3233   10.9534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6576   11.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6491   11.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0093   12.5239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
  8 11  2  0  0  0  0
 11 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
  7 19  2  0  0  0  0
 16 20  1  0  0  0  0
  3 21  1  0  0  0  0
 26 32  1  0     0  0
 31 25  1  0     0  0
 25 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  1     0  0
 27 10  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
 26 33  1  0     0  0
 33 34  1  0     0  0
 33 35  2  0     0  0
M  END
> <LM_ID>
LMPK12130010

> <COMMON_NAME>
Maritimetin 6-(6''-acetylglucoside)

> <SYSTEMATIC_NAME>
6,7,3',4'-Tetrahydroxyaurone 6- (6''-acetylglucoside)

> <FORMULA>
C23H22O12

> <MASS>
490.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Aurone flavonoids [PK1213]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PGXKNQZGYHXZPC-FZFRBNDOSA-N

> <INCHI>
InChI=1S/C23H22O12/c1-9(24)32-8-16-18(28)20(30)21(31)23(35-16)34-14-5-3-11-17(27)15(33-22(11)19(14)29)7-10-2-4-12(25)13(26)6-10/h2-7,16,18,20-21,23,25-26,28-31H,8H2,1H3/t16-,18-,20+,21-,23-/m1/s1

> <SMILES>
C12C(=O)C(=CC3C=C(O)C(O)=CC=3)OC=1C(O)=C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)C)O1)C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607745

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 42337

> <CITATION>
-

$$$$