LMPK12140038
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  0  0  0  0  0  0  0  0999 V2000
    6.2653    6.9263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2653    6.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9763    5.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6872    6.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6872    6.9263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9763    7.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3981    5.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1091    6.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1091    6.9263    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3981    7.3368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8197    7.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5444    6.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2688    7.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2688    8.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5444    8.5916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8197    8.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3981    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.3368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9933    8.5915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5444    9.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2687    9.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2687   10.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5459   11.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9915   11.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9933    6.9184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7161    7.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4390    6.9184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1618    7.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4390    6.0837    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  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
  7 17  2  0  0  0  0
 18  1  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 13 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140038

> <COMMON_NAME>
Abyssinone IV

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H28O4

> <MASS>
392.20

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JBQLRZGPTDOWQA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H28O4/c1-15(2)5-7-17-11-19(12-18(25(17)28)8-6-16(3)4)23-14-22(27)21-10-9-20(26)13-24(21)29-23/h5-6,9-13,23,26,28H,7-8,14H2,1-4H3

> <SMILES>
C1(O)=CC2OC(C3C=C(C/C=C(/C)\C)C(O)=C(C/C=C(\C)/C)C=3)CC(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186357

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
4063835

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$