LMPK12111994
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0  0  0  0  0  0  0  0999 V2000
    6.5032    7.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5032    6.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2229    5.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9426    6.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9426    7.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2229    7.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6623    5.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3820    6.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3820    7.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6623    7.5314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6623    5.2214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1014    7.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8349    7.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5685    7.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5685    8.3783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8349    8.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1014    8.3783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1014    5.8695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2229    5.0386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2229    8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5032    8.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7835    8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7835    7.5314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4093    9.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3018    8.8016    0.0000 O   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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 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 12  1  0  0  0  0
  8 18  1  0  0  0  0
  3 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  1  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 15 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111994

> <COMMON_NAME>
Citrusinol

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H16O6

> <MASS>
352.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OKQQXHUICMLKQI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H16O6/c1-20(2)8-7-12-14(26-20)9-13(22)15-16(23)17(24)18(25-19(12)15)10-3-5-11(21)6-4-10/h3-9,21-22,24H,1-2H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OC(C3C=CC(O)=CC=3)=C(O)C(=O)C=1C(O)=C2

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0037424

> <CHEBI_ID>
175501

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259051

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$