LMPK12160018
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0     0  0            999 V2000
    8.5974   10.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5974    9.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4430    8.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2887    9.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2887   10.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4430   10.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1343    8.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9798    9.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9798   10.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1343   10.7545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8255    8.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8255    7.7577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7297    7.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6338    7.7577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6338    8.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7297    9.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7519    8.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7519    7.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9062    7.3369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9062    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7519   10.7546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8255   10.7546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7297   10.3002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4796    7.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4430    7.8252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5292    7.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  1  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  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  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
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
  1 22  1  0  0  0  0
  9 23  2  0  0  0  0
 16 24  1  0  0  0  0
 14 25  1  0  0  0  0
  3 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12160018

> <COMMON_NAME>
Glycycoumarin

> <SYSTEMATIC_NAME>
3-(2,4-Dihydroxyphenyl)-6-(3-methyl-2-butenyl)-5-methoxy-7-hydroxy-2H-1-benzopyran-2-one

> <FORMULA>
C21H20O6

> <MASS>
368.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Other Flavonoids [PK1216]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NZYSZZDSYIBYLC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H20O6/c1-11(2)4-6-14-18(24)10-19-16(20(14)26-3)9-15(21(25)27-19)13-7-5-12(22)8-17(13)23/h4-5,7-10,22-24H,6H2,1-3H3

> <SMILES>
C1(O)=CC2OC(=O)C(C3C(O)=CC(O)=CC=3)=CC=2C(OC)=C1C/C=C(\C)/C

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0038225

> <CHEBI_ID>
69087

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5317756

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49827

> <CITATION>
-

$$$$