LMPK12100008
  LIPID_MAPS_STRUCTURE_DATABASE

 19 21  0  0  0  0  0  0  0  0999 V2000
    5.5544    9.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2610    8.9835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9676    9.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6739    8.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6739    8.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4066    7.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1391    8.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1391    8.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4066    9.4066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2614    8.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9676    7.7602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4066    6.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5566    7.7609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7043    6.4639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7043    5.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4066    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1089    5.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1089    6.4639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8712    9.4062    0.0000 O   0  0  0  0  0  0  0  0  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  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  6 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
  8 19  2  0  0  0  0
M  END
> <LM_ID>
LMPK12100008

> <COMMON_NAME>
Nordalbergin

> <SYSTEMATIC_NAME>
6,7-Dihydroxy-4-phenylcoumarin

> <FORMULA>
C15H10O4

> <MASS>
254.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
TZRNJQYCOSMOJS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H10O4/c16-12-6-11-10(9-4-2-1-3-5-9)7-15(18)19-14(11)8-13(12)17/h1-8,16-17H

> <SMILES>
OC1C(O)=CC2C(C3C=CC=CC=3)=CC(=O)OC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
183558

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5320203

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$