LMPK12140647
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.3022    6.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0098    5.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7173    6.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7173    7.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0098    7.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3022    7.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4249    5.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1323    6.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1323    7.0416    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4249    7.4502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8392    7.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4249    5.1045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5651    7.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2908    7.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2908    8.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5651    8.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8392    8.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0098    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0098    8.2664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1145    8.7062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8170    7.8821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.8821    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
  3  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  4  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
  2 18  1  0  0  0  0
  5 19  1  0  0  0  0
 17 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140647

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,8,2'-Trihydroxy-7-methoxyflavanone

> <FORMULA>
C16H14O6

> <MASS>
302.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NJUWLUPGDQOJCR-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H14O6/c1-21-13-7-11(19)14-10(18)6-12(22-16(14)15(13)20)8-4-2-3-5-9(8)17/h2-5,7,12,17,19-20H,6H2,1H3

> <SMILES>
C1C(OC)=C(O)C2OC(C3C(O)=CC=CC=3)CC(=O)C=2C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14034288

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$