LMPK12110164
  LIPID_MAPS_STRUCTURE_DATABASE

 33 37  0  0  0  0  0  0  0  0999 V2000
    7.7090    6.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7090    7.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9571    8.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9571    6.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4610    6.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2130    6.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2130    7.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4610    8.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9650    8.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7169    7.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4689    8.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4689    9.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7169    9.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9649    9.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4610    5.7159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2051    6.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2051    7.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7765    9.0044    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9130    9.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5598    8.3018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1297    9.7975    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4844   10.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7324    9.9444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1022   10.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9323   10.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1807    9.0951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292    9.0044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8557    9.7975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9724   11.0993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2898   10.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0174   10.7444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9571    5.6817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2051    5.2475    0.0000 C   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 17  2  0  0  0  0
 16  4  2  0  0  0  0
  4  1  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  5 15  2  0  0  0  0
 17 16  1  0  0  0  0
  3 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 17  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 21 28  1  1  0  0  0
 19 26  1  1  0  0  0
 18 27  1  1  0  0  0
 28 30  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
  4 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110164

> <COMMON_NAME>
Multijugin

> <SYSTEMATIC_NAME>


> <FORMULA>
C24H22O7

> <MASS>
422.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XMJHOTVIJNLONQ-ACIOBRDBSA-N

> <INCHI>
InChI=1S/C24H22O7/c1-12(25)28-22-20-19-17(30-23(20)31-24(22,2)3)11-16(27-4)18-14(26)10-15(29-21(18)19)13-8-6-5-7-9-13/h5-11,20,22-23H,1-4H3/t20-,22-,23+/m0/s1

> <SMILES>
C12C(=O)C=C(C3C=CC=CC=3)OC=1C1[C@@]3([H])[C@H](OC(C)=O)C(C)(C)O[C@@]3([H])OC=1C=C2OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257636

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$