LMPK13110001
  LIPID_MAPS_STRUCTURE_DATABASE

 19 21  0     0  0            999 V2000
    9.3369    8.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3328    9.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4710    7.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2029    7.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4585    9.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1945    9.5784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6093    8.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4793    6.5726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0645    8.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2029    6.5809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6050    9.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4544   10.5733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0604    9.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6558    7.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6217    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    9.3744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3161   11.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9262    9.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
  7 11  1  0  0  0  0
  9 13  2  0  0  0  0
 16 19  1  0  0  0  0
M  END
> <LM_ID>
LMPK13110001

> <COMMON_NAME>
Khellin

> <SYSTEMATIC_NAME>
5,8-Dimethoxy-2-methyl-6,7-furanochromone

> <FORMULA>
C14H12O5

> <MASS>
260.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

> <SUB_CLASS>
Benzopyranoids [PK1311]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HSMPDPBYAYSOBC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3

> <SMILES>
C12C(=O)C=C(C)OC=1C(OC)=C1C(C=CO1)=C2OC

> <KEGG_ID>
C09010

> <HMDB_ID>
-

> <CHEBI_ID>
6133

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
3828

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1053409

> <CITATION>
27936681

$$$$