LMPK12140694
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    6.3017    7.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3017    6.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0261    6.0836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7505    6.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7505    7.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0261    7.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4748    6.0836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1992    6.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1992    7.3383    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4748    7.7564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9233    7.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6616    7.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3998    7.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3998    8.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6616    9.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9233    8.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4748    5.3755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0261    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6616    6.6400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6616    9.6213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0261    8.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5776    6.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8365    8.1439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1378    9.0350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8622    8.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  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  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  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  1  0  0  0  0
 16 11  2  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
 12 19  2  0  0  0  0
 15 20  2  0  0  0  0
  6 21  1  0  0  0  0
  2 22  1  0  0  0  0
  1 23  1  0  0  0  0
 14 25  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140694

> <COMMON_NAME>
Scaberin

> <SYSTEMATIC_NAME>


> <FORMULA>
C19H18O7

> <MASS>
358.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LPKKAPFKDKLNMV-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H18O7/c1-8-17(23)16-13(22)7-14(26-19(16)9(2)18(8)25-4)10-5-12(21)15(24-3)6-11(10)20/h5-6,14,23H,7H2,1-4H3

> <SMILES>
C1(OC)=C(C)C2OC(C3=CC(=O)C(OC)=CC3=O)CC(=O)C=2C(O)=C1C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608130

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$