LMPK12050442
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0     0  0            999 V2000
    7.7944    8.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7995    8.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6026    7.5886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4006    8.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3956    8.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5925    9.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2038    7.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0020    8.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9968    8.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1935    9.4461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8050    7.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8105    6.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6693    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5225    6.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5170    7.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6583    8.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2088    6.6727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6077    6.6642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3151    8.0822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9363    7.5415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0675    8.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9256    9.4660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9202   10.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5870   10.4374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4503   10.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6528    9.1049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5161    9.6096    0.0000 C   0  0  0  0  0  0  0  0  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
  8 11  1  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 11  2  0  0  0  0
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
 15 19  1  0  0  0  0
  2 20  1  0     0  0
 20 21  1  0     0  0
  1 22  1  0     0  0
 22 23  1  0     0  0
  6 24  1  0     0  0
 24 25  1  0     0  0
 16 26  1  0     0  0
 26 27  1  0     0  0
M  END
> <LM_ID>
LMPK12050442

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,3'-Dihydroxy-6,7,8,2'-tetramethoxyisoflavone

> <FORMULA>
C19H18O8

> <MASS>
374.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VEFTVFGQXJPQTG-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H18O8/c1-23-15-9(6-5-7-11(15)20)10-8-27-16-12(13(10)21)14(22)17(24-2)19(26-4)18(16)25-3/h5-8,20,22H,1-4H3

> <SMILES>
C1(OC)C(OC)=C(O)C2C(=O)C(C3=C(OC)C(O)=CC=C3)=COC=2C=1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14630601

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 151233

> <CITATION>
-

$$$$