LMPK12050237
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
   10.4382    9.7380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3115    9.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1850    9.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0581    9.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0581    8.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9637    7.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8691    8.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8691    9.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9637    9.7567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3119    8.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1850    7.7216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9637    6.6207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7740    7.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7740    6.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6397    6.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5054    6.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5054    7.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6397    8.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1688    6.7157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3709    6.1665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8644   11.1752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7301   10.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5958   11.1752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4616   10.6755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5958   12.1749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8644   12.1749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3709    8.1657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7370    6.8394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0684    7.8213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7574    9.7499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5971    9.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5902    8.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7437    7.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9095    8.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9164    9.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0821    9.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0024   10.7278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  2 10  1  0  0  0  0
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 21 26  2  0  0  0  0
 17 27  1  0  0  0  0
 36 31  1  0     0  0
 31 32  1  0     0  0
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 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  1  1  1     0  0
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M  END
> <LM_ID>
LMPK12050237

> <COMMON_NAME>
Orobol 7-O-(6''-malonylglucoside)

> <SYSTEMATIC_NAME>
5,7,3',4'-Tetrahydroxyisoflavone 7-O-(6"-malonylglucoside)

> <FORMULA>
C24H22O14

> <MASS>
534.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YMKBDPAXCTWFFC-RSEYPYQYSA-N

> <INCHI>
InChI=1S/C24H22O14/c25-12-2-1-9(3-13(12)26)11-7-35-15-5-10(4-14(27)19(15)20(11)31)37-24-23(34)22(33)21(32)16(38-24)8-36-18(30)6-17(28)29/h1-5,7,16,21-27,32-34H,6,8H2,(H,28,29)/t16-,21-,22+,23-,24-/m1/s1

> <SMILES>
O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(=O)O)O1)C1C=C(O)C2C(=O)C(C3C=C(O)C(O)=CC=3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102463143

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 99387

> <CITATION>
-

$$$$