LMPK12140580
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.9030    8.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9030    7.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7454    7.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5880    7.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5880    8.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7454    8.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4304    7.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2728    7.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2728    8.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4304    8.9790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1153    8.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9739    8.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8325    8.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8325    9.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9739   10.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1153    9.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4304    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6749   10.4567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9739   11.4388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7454    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.9790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  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  0  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
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
  3 20  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140580

> <COMMON_NAME>
Sternbin

> <SYSTEMATIC_NAME>
3',4',5-Trihydroxy-7-methoxyflavanone

> <FORMULA>
C16H14O6

> <MASS>
302.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
7-O-Methyleriodictyol

> <INCHI_KEY>
DSAJORLEPQBKDA-UHFFFAOYSA-N

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

> <SMILES>
C1(OC)=CC2OC(C3C=C(O)C(O)=CC=3)CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
4872981

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 40963

> <CITATION>
-

$$$$