LMPK12113120
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
    8.9213    8.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9213    7.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7850    7.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6487    7.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6487    8.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7850    9.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5124    7.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3762    7.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3762    8.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5124    9.3522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5124    6.5800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2396    9.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1199    8.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0001    9.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0001   10.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1199   10.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2396   10.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0579    9.3520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1632    7.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7850    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7519   11.0157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7850   10.3490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8482    9.8447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4429   11.2702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9758   13.1948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3482   12.0268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0941   14.2743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0831   11.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1147   10.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4112   11.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6778   12.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6461   12.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9127   13.6991    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
  1 18  1  0  0  0  0
  8 19  1  0  0  0  0
  3 20  1  0  0  0  0
 21 15  1  0  0  0  0
  6 22  1  0  0  0  0
 27 33  1  0     0  0
 32 26  1  0     0  0
 26 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  1     0  0
 28 22  1  1     0  0
 29 23  1  6     0  0
 30 24  1  1     0  0
 31 25  1  6     0  0
M  END
> <LM_ID>
LMPK12113120

> <COMMON_NAME>
Herbacetin 8-glucoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H20O12

> <MASS>
464.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WWEKCPWUOZWBRI-KKPQBLLMSA-N

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

> <SMILES>
C1(O)=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C2OC(C3C=CC(O)=CC=3)=C(O)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
20834275

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$