LMPK12140448
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0  0  0  0  0  0  0  0999 V2000
    6.2236    6.9960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2424    6.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0358    5.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7043    6.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7188    7.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9780    7.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4750    5.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1629    6.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1534    7.0510    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4553    7.4422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8828    7.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5906    7.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3256    7.4598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3190    8.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6010    8.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8681    8.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4750    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0358    5.0302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0575    7.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7826    7.4598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7826    8.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0575    8.7158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6010    9.5664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3199    9.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4318    8.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3864    7.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.3822    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  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  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 14  1  0  0  0  0
 15 23  1  0  0  0  0
 23 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
  1 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140448

> <COMMON_NAME>
Abyssinin I

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H20O6

> <MASS>
368.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(2S)-5,7-Dihydroxy-3'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',5']flavanone

> <INCHI_KEY>
SDUMAACMVUGGAC-INIZCTEOSA-N

> <INCHI>
InChI=1S/C21H20O6/c1-21(2)5-4-11-6-12(7-18(25-3)20(11)27-21)16-10-15(24)19-14(23)8-13(22)9-17(19)26-16/h4-9,16,22-23H,10H2,1-3H3/t16-/m0/s1

> <SMILES>
C1(O)=CC2O[C@H](C3C=C(OC)C4OC(C)(C)C=CC=4C=3)CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10761522

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$