LMPK12130066
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    8.7304    8.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7304    9.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8404    9.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9504    9.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9504    8.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8404    7.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7077    7.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3116    8.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7077    9.5599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.7562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9065    7.1549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1089    9.5260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8545    7.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8842    7.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3833    6.9238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3815    6.9238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8805    7.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3815    8.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3833    8.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8799    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5519    7.7787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0657    8.6687    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; 263468

> <CITATION>
-

$$$$