LMPK12140410
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.8144    7.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8328    6.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6005    5.8398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2474    6.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2615    7.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5446    7.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9932    5.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6588    6.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6497    7.0676    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9741    7.4461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3555    7.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0382    7.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7409    7.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7612    8.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0580    8.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3464    8.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9932    5.0830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1087    7.4218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6005    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3766    8.6571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5283    8.7515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7862    9.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3986    7.1072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0422    8.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2848    9.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.7660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0422    8.0991    0.0000 C   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
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
 13 23  1  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140410

> <COMMON_NAME>
Licoleafol

> <SYSTEMATIC_NAME>
(2S)-5,7,3',4'-Tetrahydroxy-8-[(E)-3-hydroxymethyl-2-butenyl]flavanone

> <FORMULA>
C20H20O7

> <MASS>
372.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CIJATEIGJFIOPE-OUOXKOSGSA-N

> <INCHI>
InChI=1S/C20H20O7/c1-10(9-21)2-4-12-14(23)7-16(25)19-17(26)8-18(27-20(12)19)11-3-5-13(22)15(24)6-11/h2-3,5-7,18,21-25H,4,8-9H2,1H3/b10-2+/t18-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197079

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11111496

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$