LMPK12100032
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.5953   12.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4583   12.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3210   12.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3210   11.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2158   10.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1104   11.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1104   12.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2158   12.8576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5953   11.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4583   10.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2158    9.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3580    9.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3580    8.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2158    7.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0733    8.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0733    9.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9731   12.8392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   12.8390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4583    9.8508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2158    6.8181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0079    6.3606    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
  1 18  1  0  0  0  0
 10 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100032

> <COMMON_NAME>
Nivetin

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

> <FORMULA>
C16H12O5

> <MASS>
284.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RVVQWGLEXIDBKI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-15(19)21-14-7-10(17)6-13(18)16(12)14/h2-8,17-18H,1H3

> <SMILES>
C1(O)C=C(O)C2C(C3C=CC(OC)=CC=3)=CC(=O)OC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14079929

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 274428

> <CITATION>
-

$$$$