LMPK12110970
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.9194   -5.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9194   -6.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7902   -7.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6612   -6.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6612   -5.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8151   -5.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5321   -7.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4028   -6.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4028   -5.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5321   -5.0922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5321   -7.8874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7902   -8.1085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4672   -4.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3849   -5.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3025   -4.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3025   -3.8715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3849   -3.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4672   -3.8715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2197   -3.3418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2401   -5.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5061   -5.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7865   -8.5574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9898   -9.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3710   -8.2588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2487   -6.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0635   -7.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9772   -7.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0760   -8.4079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2669   -7.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3532   -6.8523    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
  3 12  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
  9 13  1  0  0  0  0
 16 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 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
 27 22  1  6     0  0
 28 23  1  1     0  0
 29 24  1  1     0  0
 26  2  1  1     0  0
M  END
> <LM_ID>
LMPK12110970

> <COMMON_NAME>
Isomolludistin

> <SYSTEMATIC_NAME>
5,7,3',4'-Tetrahydroxyflavone 5-galactoside

> <FORMULA>
C21H20O9

> <MASS>
416.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XHERRXPIJZVTTE-HDVOXMMCSA-N

> <INCHI>
InChI=1S/C21H20O9/c1-28-14-7-15-16(11(23)6-13(30-15)9-2-4-10(22)5-3-9)19(26)17(14)21-20(27)18(25)12(24)8-29-21/h2-7,12,18,20-22,24-27H,8H2,1H3/t12-,18-,20+,21-/m0/s1

> <SMILES>
C1(OC)=CC2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O)[C@@H](O)[C@@H](O)CO1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178336062

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 487746

> <CITATION>
-

$$$$