LMPK12140681
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.4387    7.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1247    6.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8108    7.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8108    7.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1247    8.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4387    7.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4969    6.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1830    7.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1830    7.9014    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4969    8.2975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8682    8.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4969    6.0231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5721    7.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2758    8.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2758    9.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5721    9.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8682    9.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1247    9.0889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4977    7.2568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9682    8.7163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1760    8.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1247    5.3960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4387    5.0000    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
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
  5 18  1  0  0  0  0
  1 19  1  0  0  0  0
  6 21  1  0  0  0  0
  2 23  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140681

> <COMMON_NAME>
Kwangsienin A

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H18O6

> <MASS>
330.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OHMCJAVUWDAGRU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H18O6/c1-21-16-13-11(19)9-12(10-7-5-4-6-8-10)24-15(13)14(20)17(22-2)18(16)23-3/h4-8,12,20H,9H2,1-3H3

> <SMILES>
C1(OC)C(OC)=C(O)C2OC(C3C=CC=CC=3)CC(=O)C=2C=1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
157606

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$