LMPK12140092
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
   11.0347    8.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0347    7.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9494    6.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8642    7.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8642    8.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9494    9.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7790    6.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6938    7.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6938    8.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7790    9.0673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6082    9.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5406    8.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4729    9.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4729   10.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5406   10.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6082   10.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7790    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4049   10.6817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1203    9.0672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4509   11.6547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9494   10.1232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1073    7.3411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1057    7.3553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1216    9.0930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6250    9.9447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1490   10.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1218    9.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6153    8.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6120    8.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1201    9.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6266    9.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1346   10.8192    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
 14 18  1  0  0  0  0
  1 19  1  0  0  0  0
 20 15  1  0  0  0  0
  6 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
 27 19  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
M  END
> <LM_ID>
LMPK12140092

> <COMMON_NAME>
Isookaninglucoside

> <SYSTEMATIC_NAME>
7,8,3',4'-Tetrahydroxyflavanone 7-O-glucoside

> <FORMULA>
C21H22O11

> <MASS>
450.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DGGOLFCPSUVVHX-BMACRPILSA-N

> <INCHI>
InChI=1S/C21H22O11/c22-7-15-16(26)18(28)19(29)21(32-15)31-13-4-2-9-11(24)6-14(30-20(9)17(13)27)8-1-3-10(23)12(25)5-8/h1-5,14-16,18-19,21-23,25-29H,6-7H2/t14?,15-,16-,18+,19-,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=C(O)C(O)=CC=3)CC(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179855

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44467721

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
41554; 33090

> <CITATION>
-

$$$$