LMPK12110012
  LIPID_MAPS_STRUCTURE_DATABASE

 22 25  0  0  0  0  0  0  0  0999 V2000
    8.8582    7.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8582    8.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9613    9.1677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0642    8.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0642    7.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9613    7.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7551    7.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6521    7.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6521    8.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7551    9.1677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5491    9.1677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4460    8.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3430    9.1677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3430   10.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4460   10.7213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5491   10.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7551    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7458   10.1808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7159   10.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    9.3430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4434   11.2776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9823   11.5887    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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  9 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
  3 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20  4  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110012

> <COMMON_NAME>
Cauliflorin A

> <SYSTEMATIC_NAME>
2-(3-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one

> <FORMULA>
C18H12O4

> <MASS>
292.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Pongol methyl ether

> <INCHI_KEY>
OHKLPDQPGIVELF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H12O4/c1-20-12-4-2-3-11(9-12)17-10-15(19)13-5-6-16-14(7-8-21-16)18(13)22-17/h2-10H,1H3

> <SMILES>
C12C(=O)C=C(C3C=C(OC)C=CC=3)OC=1C1C=COC=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196228

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
636768

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1679271

> <CITATION>
11975509

$$$$