LMPK12090044
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.0244    8.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0244    7.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6992    6.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3740    7.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3740    8.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6992    8.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0489    6.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7237    7.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7237    8.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0488    8.5065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3983    6.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3983    6.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1197    5.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8412    6.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8412    6.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1197    7.3648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0558    6.1152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5160    5.7255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3985    8.5064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3496    6.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3496    6.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6748    5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6748    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6992    6.1689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3496    8.5064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3496    9.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  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  2  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
  8 11  1  0  0  0  0
 11 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 11  2  0  0  0  0
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
  9 19  2  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  3 25  1  0  0  0  0
  1 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12090044

> <COMMON_NAME>
Glycyrol

> <SYSTEMATIC_NAME>
1,9-Dihydroxy-3-methoxy-2-prenylcoumestan

> <FORMULA>
C21H18O6

> <MASS>
366.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Coumestan flavonoids [PK1209]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Neoglycyrol

> <INCHI_KEY>
PVKQULHHWVQXLE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H18O6/c1-10(2)4-6-13-14(25-3)9-16-18(19(13)23)20-17(21(24)27-16)12-7-5-11(22)8-15(12)26-20/h4-5,7-9,22-23H,6H2,1-3H3

> <SMILES>
C1(OC)C(C/C=C(\C)/C)=C(O)C2C3OC4=CC(O)=CC=C4C=3C(=O)OC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5317757

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$