LMPK12140390
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0  0  0  0  0  0  0  0999 V2000
    7.6950    8.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7179    7.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6730    7.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4777    7.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4950    8.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6034    9.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4055    7.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2335    7.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2222    8.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3817    9.1771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1001    9.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9493    8.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8236    9.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8489   10.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9741   10.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0887   10.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4055    6.2372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6730    6.2579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7799    8.8907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3959    9.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8205   10.5307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9741   11.6929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1189   10.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3916   10.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4881   10.9396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4881   11.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7005   10.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.1955    0.0000 O   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  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
  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  6  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
  3 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 14  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
  1 28  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140390

> <COMMON_NAME>
Abyssinoflavanone IV

> <SYSTEMATIC_NAME>
5,7,3'-Trihydroxy-2'-prenyl-[2'',3'':4',5']furanoflavanone

> <FORMULA>
C22H22O6

> <MASS>
382.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XCIIBMCUOWUPMJ-SFHVURJKSA-N

> <INCHI>
InChI=1S/C22H22O6/c1-11(2)3-4-14-15(7-12-5-6-27-22(12)21(14)26)18-10-17(25)20-16(24)8-13(23)9-19(20)28-18/h3,7-9,18,23-24,26H,4-6,10H2,1-2H3/t18-/m0/s1

> <SMILES>
C1(O)C=C2O[C@H](C3C(C/C=C(/C)\C)=C(O)C4OCCC=4C=3)CC(=O)C2=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607991

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1237573

> <CITATION>
9548845

$$$$