LMPK12130066
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.2026    6.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2026    7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4684    8.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7341    7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7341    6.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4684    6.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0089    6.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5071    7.2012    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0089    7.8870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.0489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1729    5.9028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1649    7.8590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9550    6.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8045    6.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2163    5.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0398    5.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4515    6.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0398    7.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2163    7.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4510    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0054    6.4175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4293    7.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  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 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12130066

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
2,6,3'-Trihydroxy-4'-methoxy-2-benzylcoumaranone

> <FORMULA>
C16H14O6

> <MASS>
302.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Aurone flavonoids [PK1213]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HBEFLXKTZCXMQU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H14O6/c1-21-13-5-2-9(6-12(13)18)8-16(20)15(19)11-4-3-10(17)7-14(11)22-16/h2-7,17-18,20H,8H2,1H3

> <SMILES>
C12C(=O)C(CC3C=CC(OC)=C(O)C=3)(O)OC=1C=C(O)C=C2

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0039377

> <CHEBI_ID>
174886

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607789

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$