LMPK12113139
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
   12.1104   13.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1104   11.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9873   11.4908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8642   11.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8642   13.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9873   13.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2334   11.4908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3565   11.9971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4795   11.4908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4795   10.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3565    9.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2334   10.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6026   11.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7256   11.4908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7256   10.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6026    9.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3565    9.1554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8489   11.9971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3431    9.7410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6014   13.4353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6026    9.1817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6026   12.7998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1046    8.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7448    8.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1907    7.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2082    7.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1550    8.4279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5553    6.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7607    8.0551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4175    6.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4679    7.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6773    6.4962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5767    5.7671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 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 10  1  0  0  0  0
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 12 19  1  0  0  0  0
  5 20  1  0  0  0  0
 16 21  1  0  0  0  0
 13 22  1  0  0  0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 23  1  0     0  0
 25 28  1  1     0  0
 24 29  1  6     0  0
 26 30  1  6     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 30 33  1  6     0  0
 23 19  1  1     0  0
M  END
> <LM_ID>
LMPK12113139

> <COMMON_NAME>
Herbacetin 3-beta-D-glucofuranoside

> <SYSTEMATIC_NAME>
3-(beta-D-Glucofuranosyloxy)-5,7,8-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C21H20O12

> <MASS>
464.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FKLKHCXZTRDKFH-UFRGDVTKSA-N

> <INCHI>
InChI=1S/C21H20O12/c22-6-11(26)18-15(29)16(30)21(32-18)33-20-14(28)12-9(24)5-10(25)13(27)19(12)31-17(20)7-1-3-8(23)4-2-7/h1-5,11,15-16,18,21-27,29-30H,6H2/t11-,15-,16-,18+,21+/m1/s1

> <SMILES>
C1C=C(O)C=CC=1C1=C(O[C@@H]2O[C@@H]([C@H](O)CO)[C@H](O)[C@H]2O)C(=O)C2C(O)=CC(O)=C(O)C=2O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178336277

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 130263

> <CITATION>
-

$$$$