LMPK12120542
  LIPID_MAPS_STRUCTURE_DATABASE

 32 34  0  0  0  0  0  0  0  0999 V2000
    7.7987    8.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7987    8.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4795    7.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1601    8.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1601    8.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4795    9.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4795    6.8433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8403    7.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5188    8.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    7.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8758    8.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5542    7.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2327    8.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2327    8.8041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5542    9.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8758    8.8041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8403    6.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9111    9.1959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6519    6.2996    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1591    5.6303    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8894    5.9143    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6505    5.9058    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0820    6.4339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3361    6.1662    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0000    6.3567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6805    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3077    5.2118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8403    9.2004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1646    9.2681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0610    8.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8139    6.6883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1930    8.1031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  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
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  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 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  8 17  2  0  0  0  0
 14 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22  7  1  0  0  0  0
  5 28  1  0  0  0  0
 24 31  1  0  0  0  0
  1 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120542

> <COMMON_NAME>
Asebotin

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H26O10

> <MASS>
450.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PQCIBORQLVRFMR-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H26O10/c1-30-13-8-15(26)18(14(25)7-4-11-2-5-12(24)6-3-11)16(9-13)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-3,5-6,8-9,17,19-24,26-29H,4,7,10H2,1H3

> <SMILES>
C1(OC)C=C(O)C(C(=O)CCC2C=CC(O)=CC=2)=C(OC2OC(CO)C(O)C(O)C2O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12308643

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$