LMPK12100059
  LIPID_MAPS_STRUCTURE_DATABASE

 22 25  0  0  0  0  0  0  0  0999 V2000
    6.4452    9.7169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1365   10.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542    9.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8818    8.9198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6261    8.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3430    8.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3153    9.8113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5709   10.2090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4722    8.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1899    8.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6538    7.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667    7.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9932    6.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7069    6.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3940    6.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3675    7.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0204   10.2184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2168    7.6945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7069    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0991    6.0819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7401   10.1240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.6967    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  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 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
  7 17  2  0  0  0  0
 10 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 12 18  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100059

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
4',5'-Dihydroxy-7-methoxy-5,2'-oxido-4-phenylcoumarin

> <FORMULA>
C16H10O6

> <MASS>
298.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KOCNWAKMXCTCIO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H10O6/c1-20-7-2-13-16-9(5-15(19)22-14(16)3-7)8-4-10(17)11(18)6-12(8)21-13/h2-6,17-18H,1H3

> <SMILES>
C1(OC)C=C2OC3C=C(O)C(O)=CC=3C3=CC(=O)OC(=C32)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13962196

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$