LMPK12112438
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
   11.9769    8.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9769    7.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8457    7.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7147    7.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7147    8.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8457    9.3432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5836    7.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4527    7.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4527    8.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5836    9.3432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5836    6.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3213    9.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2070    8.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0925    9.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0925   10.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2070   10.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3213   10.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1082    9.3431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8457    6.3335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3213    7.3366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0049   10.8638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9778    8.8317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2070   11.8993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0941    7.3502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3609    6.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6472    7.3745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3820    9.3553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8971    8.7283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2443    8.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2372    7.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3679    7.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5111    7.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5182    8.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6613    9.3674    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
  3 19  1  0  0  0  0
  8 20  1  0  0  0  0
 15 21  1  0  0  0  0
 14 22  1  0  0  0  0
 16 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>
LMPK12112438

> <COMMON_NAME>
Myricetin 7-glucoside

> <SYSTEMATIC_NAME>
7-[(beta-D-Glucopyranosyl)oxy ]-3,3',4',5,5'-pentahydroxyflavone

> <FORMULA>
C21H20O13

> <MASS>
480.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VYUFSOYMUGOSGK-GFOOFYSOSA-N

> <INCHI>
InChI=1S/C21H20O13/c22-5-12-15(27)17(29)19(31)21(34-12)32-7-3-8(23)13-11(4-7)33-20(18(30)16(13)28)6-1-9(24)14(26)10(25)2-6/h1-4,12,15,17,19,21-27,29-31H,5H2/t12-,15-,17+,19-,21-/m1/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=C(O)C(O)=C(O)C=3)=C(O)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
75820

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15118774

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 158927

> <CITATION>
-

$$$$