LMPK12140454
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
    6.9610    8.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9610    7.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8618    7.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7628    7.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7628    8.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8618    9.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6636    7.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5645    7.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5645    8.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6636    9.1809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4650    9.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3829    8.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3010    9.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3010   10.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3829   10.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4650   10.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6636    6.2200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2188   10.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.1807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3829   11.9343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8618    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4150    8.6244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8402   10.0295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7700    9.4977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2708    7.5645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6322    7.3898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8421    6.0705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3780    8.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0906    9.0629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0575    8.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3078    7.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5952    7.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8456    6.1593    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
  3 21  1  0  0  0  0
 22 13  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 22  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>
LMPK12140454

> <COMMON_NAME>
Plantagoside

> <SYSTEMATIC_NAME>
2-(4,5-Dihydroxy-3-(beta-D-glucopyranosyloxy) phenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one

> <FORMULA>
C21H22O12

> <MASS>
466.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SNFFBROYEDWRGB-KENFSNRMSA-N

> <INCHI>
InChI=1S/C21H22O12/c22-6-15-18(28)19(29)20(30)21(33-15)32-14-2-7(1-11(26)17(14)27)12-5-10(25)16-9(24)3-8(23)4-13(16)31-12/h1-4,12,15,18-24,26-30H,5-6H2/t12?,15-,18-,19+,20-,21-/m1/s1

> <SMILES>
C1(O)=CC2OC(C3C=C(O)C(O)=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C=3)CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5320624

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
460367; 33090

> <CITATION>
-

$$$$