LMPK12111340
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
   13.6905    8.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6905    7.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5574    7.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4246    7.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4246    8.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5574    9.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2915    7.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1586    7.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1586    8.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2915    9.3588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2915    6.5760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0253    9.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9088    8.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7924    9.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7924   10.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9088   10.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0253   10.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5574    6.5756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3882   10.7231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5230    9.5021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5574   10.0403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5080    7.3807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6631    6.3331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8388    7.4066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6855    9.5152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6034    8.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5958    7.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6704    7.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7584    7.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7659    8.9911    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  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
  7 11  2  0  0  0  0
  9 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
 18  3  1  0  0  0  0
 19 15  1  0  0  0  0
 20  1  1  0  0  0  0
  6 21  1  0  0  0  0
 30 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 26 20  1  1     0  0
 27 22  1  6     0  0
 28 23  1  1     0  0
 29 24  1  6     0  0
M  END
> <LM_ID>
LMPK12111340

> <COMMON_NAME>
Isoscutellarein 7-xyloside

> <SYSTEMATIC_NAME>
4',5,7,8-Tetrahydroxyflavone 7-xyloside

> <FORMULA>
C20H18O10

> <MASS>
418.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LRTHDKCJFOCZMF-MINVPOHDSA-N

> <INCHI>
InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)13-5-10(22)15-11(23)6-14(17(26)19(15)29-13)30-20-18(27)16(25)12(24)7-28-20/h1-6,12,16,18,20-21,23-27H,7H2/t12-,16+,18-,20+/m1/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)CO2)=C(O)C2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21589941

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 103974

> <CITATION>
-

$$$$