LMPK12113116
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
   11.9855    8.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9855    7.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8500    7.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7142    7.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7142    8.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8500    9.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5787    7.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4432    7.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4432    8.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5787    9.3080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5787    6.3135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3077    9.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1886    8.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0698    9.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0698   10.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1886   10.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3077   10.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1211    9.3080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3077    7.3115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8500    6.3135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9342   10.8242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8500   10.3059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5926    7.3899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6668    6.8885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    8.3040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4595    9.7658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9013    9.8033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1608    9.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8965    8.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9310    7.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2351    8.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4993    9.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8033   10.2221    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 18  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>
LMPK12113116

> <COMMON_NAME>
Herbacetin 7-glucoside

> <SYSTEMATIC_NAME>
3,5,7,8,4'-Pentahydroxyflavone 7-glucoside

> <FORMULA>
C21H20O12

> <MASS>
464.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Herbacitrin

> <INCHI_KEY>
RSPZVQZNRINVPE-ZGNDCXKCSA-N

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

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C(O)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>
5318021

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 34274

> <CITATION>
-

$$$$