LMPK12110432
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
   14.5546   -7.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6358   -7.1684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7171   -7.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7171   -8.7596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6358   -9.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5546   -8.7596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7986   -7.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8798   -7.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8798   -8.7596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7986   -9.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0496   -7.2194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7986  -10.2409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6358  -10.0256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5598   -7.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4783   -7.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3971   -7.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3971   -6.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4783   -5.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5598   -6.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1883   -5.6010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0342   -6.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7904  -10.8220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0569  -11.8228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3287  -10.8222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0567   -8.8206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5658   -9.4680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9263   -9.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9263  -10.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0567  -10.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1928  -10.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1928   -9.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3287   -8.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
  5 13  2  0  0  0  0
  1 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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 26 32  1  0     0  0
 31 25  1  0     0  0
 25 27  1  0     0  0
 27 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  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
 27  9  1  1     0  0
M  END
> <LM_ID>
LMPK12110432

> <COMMON_NAME>
Isocytisoside

> <SYSTEMATIC_NAME>
6-beta-D-Glucopyranosyl-5,7-dihydroxy-4'-methoxyflavone

> <FORMULA>
C22H22O10

> <MASS>
446.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Acacetin-6-C-glucoside

> <INCHI_KEY>
AQHMJUSCGYYXRM-DGHBBABESA-N

> <INCHI>
InChI=1S/C22H22O10/c1-30-10-4-2-9(3-5-10)13-6-11(24)16-14(31-13)7-12(25)17(19(16)27)22-21(29)20(28)18(26)15(8-23)32-22/h2-7,15,18,20-23,25-29H,8H2,1H3/t15-,18-,20+,21-,22+/m1/s1

> <SMILES>
C1(C2C=CC(OC)=CC=2)=CC(=O)C2C(O)=C([C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(O)=CC=2O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
160749

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$