LMPK12113131
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    7.8711   11.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8649   10.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7670    9.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6760   10.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6821   11.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7798   11.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5779    9.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4865   10.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4930   11.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5909   11.9427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5779    8.8064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4014   11.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3209   11.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2468   11.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2535   12.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3339   13.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4077   12.9972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3170    9.8195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7670    8.8175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0536   13.4478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7798   12.9992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9659   11.9592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1929    9.1216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5264    7.1479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9860    5.8771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7126    8.1946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4508    5.6342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4847    8.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4226    8.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5885    7.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8183    6.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8804    7.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1102    6.5749    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
  8 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20 15  1  0  0  0  0
  6 21  1  0  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
 28 34  1  0     0  0
 33 27  1  0     0  0
 27 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  0     0  0
 33 34  1  1     0  0
 29 18  1  1     0  0
 30 24  1  6     0  0
 31 25  1  1     0  0
 32 26  1  6     0  0
M  END
> <LM_ID>
LMPK12113131

> <COMMON_NAME>
Herbacetin 7-methyl ether 3-glucoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H22O12

> <MASS>
478.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ATOXWOVZPMMCKB-OOVDEOTFSA-N

> <INCHI>
InChI=1S/C22H22O12/c1-31-11-6-10(25)13-16(28)21(34-22-18(30)17(29)14(26)12(7-23)32-22)19(33-20(13)15(11)27)8-2-4-9(24)5-3-8/h2-6,12,14,17-18,22-27,29-30H,7H2,1H3/t12-,14-,17+,18-,22+/m1/s1

> <SMILES>
C1(OC)=C(O)C2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259947

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$