LMPK12110165
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.3521    6.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3521    7.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5967    8.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5967    6.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1076    6.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8629    6.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8629    7.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1075    8.1682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8449    8.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6003    7.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3558    8.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3558    9.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6003    9.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8449    9.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1076    5.7180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8413    6.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8413    7.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5967    5.6836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8413    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4154    9.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5479    9.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    8.3156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2252    9.6715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9551    9.5611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9377   10.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2964   10.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5373   10.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9377   11.0584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3044   11.9480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3044   11.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7025   11.0946    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 17  2  0  0  0  0
 16  4  2  0  0  0  0
  4  1  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 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  9  1  0  0  0  0
  5 15  2  0  0  0  0
 17 16  1  0  0  0  0
  4 18  1  0  0  0  0
 18 19  1  0  0  0  0
  3 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
 21 23  2  0  0  0  0
 20 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 30  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110165

> <COMMON_NAME>
Tephrorianin

> <SYSTEMATIC_NAME>


> <FORMULA>
C24H20O7

> <MASS>
420.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SEEMOEHWVXEBAV-QINSGFPZSA-N

> <INCHI>
InChI=1S/C24H20O7/c1-13(25)31-24(2,3)12-15-20-19(30-23(15)27)11-18(28-4)21-16(26)10-17(29-22(20)21)14-8-6-5-7-9-14/h5-12H,1-4H3/b15-12-

> <SMILES>
C12C(=O)C=C(C3C=CC=CC=3)OC=1C1/C(=C/C(OC(C)=O)(C)C)/C(=O)OC=1C=C2OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257637

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$