LMPK12140408
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0     0  0            999 V2000
    8.6987    8.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7217    7.8639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6872    7.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5009    7.8836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5186    8.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6169    9.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4388    7.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2759    7.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2645    8.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4148    9.4056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1521    9.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0108    8.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8946    9.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9200   10.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0357   11.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1406   10.5184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4388    6.3301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8109    9.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6872    6.3609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7919   10.9851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8594    7.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0200    7.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4942    6.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    6.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6261    9.0346    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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 13 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140408

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(2S)-5,7,3',4'-Tetrahydroxy-6-(1,1-dimethylallyl)flavanone

> <FORMULA>
C20H20O6

> <MASS>
356.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BDPWAJXXQWRYNV-HNNXBMFYSA-N

> <INCHI>
InChI=1S/C20H20O6/c1-4-20(2,3)18-14(24)9-16-17(19(18)25)13(23)8-15(26-16)10-5-6-11(21)12(22)7-10/h4-7,9,15,21-22,24-25H,1,8H2,2-3H3/t15-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186765

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10498462

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1902362

> <CITATION>
9190085

$$$$