LMPK12140321
  LIPID_MAPS_STRUCTURE_DATABASE

 31 35  0     0  0            999 V2000
    8.4961    8.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5193    7.8990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4885    7.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3051    7.9189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3228    8.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4178    9.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2466    7.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0869    7.8883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0754    8.9687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2226    9.4466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9664    9.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8284    9.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7106    9.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7466   10.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8532   11.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9550   10.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2466    6.4633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4885    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4603   10.9287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6164    9.3826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7599    8.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7830    7.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6628    7.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4178   10.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6156   10.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0947    9.5267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.4577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0536   11.8316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4914   10.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7307   11.2973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8188   10.4697    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  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
 14 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23  2  1  0  0  0  0
  6 24  1  0  0  0  0
 24 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 25  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140321

> <COMMON_NAME>
2''',3'''-Epoxylupinifolin

> <SYSTEMATIC_NAME>
(2S)-5,4'-Dihydroxy-8-(2,3-epoxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone

> <FORMULA>
C25H26O6

> <MASS>
422.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2'',3''-Epoxylupinifolin

> <INCHI_KEY>
FFNJMGHENBNOAP-OYKVQYDMSA-N

> <INCHI>
InChI=1S/C25H26O6/c1-24(2)10-9-15-21(28)20-17(27)12-18(13-5-7-14(26)8-6-13)29-23(20)16(22(15)31-24)11-19-25(3,4)30-19/h5-10,18-19,26,28H,11-12H2,1-4H3/t18-,19?/m0/s1

> <SMILES>
C12OC(C)(C)C=CC1=C(O)C1C(=O)C[C@@H](C3C=CC(O)=CC=3)OC=1C=2CC1C(C)(C)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11742974

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 647089

> <CITATION>
-

$$$$