LMPK12140021
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.8322   -7.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8322   -8.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7081   -8.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5841   -8.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5841   -7.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7081   -6.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4599   -8.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3357   -8.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3357   -7.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4599   -6.6005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2114   -6.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1041   -7.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9969   -6.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9969   -5.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1041   -5.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2114   -5.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4599   -9.4794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9562   -6.6005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8892   -5.0545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7402   -4.3956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2366   -5.6695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8801   -7.5973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4600   -6.6580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8788   -8.7486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6365   -5.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5620   -5.3595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3112   -5.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1328   -6.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2074   -7.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0291   -8.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  5  1  0     0  0
  9 11  1  6     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 11  1  0     0  0
  7 17  2  0     0  0
 18  1  1  0     0  0
 14 19  1  0     0  0
 24 30  1  0     0  0
 29 23  1  0     0  0
 23 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  1     0  0
 25 19  1  1     0  0
 26 20  1  6     0  0
 27 21  1  1     0  0
 28 22  1  6     0  0
M  END
> <LM_ID>
LMPK12140021

> <COMMON_NAME>
Liquiritin

> <SYSTEMATIC_NAME>
(2S)-2,3-Dihydro-7-hydroxy-2-[4-(beta-D-glucopyranosyloxy)phenyl]-4H-1-benzopyran-4-one

> <FORMULA>
C21H22O9

> <MASS>
418.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
7-Hydroxyflavanone 4'-O-glucoside

> <INCHI_KEY>
DEMKZLAVQYISIA-ZRWXNEIDSA-N

> <INCHI>
InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2/t15-,17+,18+,19-,20+,21+/m0/s1

> <SMILES>
C1(O)=CC2O[C@H](C3C=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=3)CC(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
80845

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
503737

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 74613

> <CITATION>
-

$$$$