LMPK12050339
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
    8.7745    9.8005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6565    9.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5385    9.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4202    9.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4202    8.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3347    7.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2492    8.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2492    9.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3347    9.8193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6569    8.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5385    7.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3347    6.6523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1631    7.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1631    6.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0373    6.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9116    6.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9116    7.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0373    8.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5385   10.8185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5385    6.6948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8223    6.1726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1494    6.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5913    6.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0972    7.9802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1818    7.6565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9486    9.1514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1976   10.3871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8192    9.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4806    8.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5203    8.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9038    9.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2424   10.2242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6258   10.9717    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  7  1  0  0  0  0
  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
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  3 19  1  0  0  0  0
 16 21  1  0  0  0  0
 11 20  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 32 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  0     0  0
 32 33  1  6     0  0
 28  1  1  1     0  0
 29 24  1  6     0  0
 30 25  1  6     0  0
 31 26  1  1     0  0
M  END
> <LM_ID>
LMPK12050339

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
7-Hydroxy-5,4'-dimethoxy-8-methylisoflavone 7-O-rhamnoside

> <FORMULA>
C24H26O9

> <MASS>
458.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FBUPXHQDNXCVLC-AISPUCENSA-N

> <INCHI>
InChI=1S/C24H26O9/c1-11-16(33-24-22(28)21(27)19(25)12(2)32-24)9-17(30-4)18-20(26)15(10-31-23(11)18)13-5-7-14(29-3)8-6-13/h5-10,12,19,21-22,24-25,27-28H,1-4H3/t12-,19-,21+,22+,24-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
163191029

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1071187

> <CITATION>
-

$$$$