LMPK12140706
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0     0  0            999 V2000
    8.9938    8.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0165    7.2635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9683    6.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7704    7.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7877    8.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8990    8.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6950    6.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5204    7.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5091    8.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6715    8.7836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3842    8.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2306    8.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1020    8.8340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1270    9.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2552   10.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3728    9.8805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6950    5.8534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2017    6.7450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1437    8.7066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0116    5.8270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1976    5.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  6  1  1  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  5  1  0     0  0
  9 11  1  6     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 11  1  0     0  0
  7 17  2  0     0  0
  2 18  1  0     0  0
  1 19  1  0     0  0
  3 20  1  0     0  0
 20 21  1  0     0  0
M  END
> <LM_ID>
LMPK12140706

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(2S)-7-hydroxy-5-methoxy-6-methylflavanone

> <FORMULA>
C17H16O4

> <MASS>
284.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VWTJLHQGHXGHKG-AWEZNQCLSA-N

> <INCHI>
InChI=1S/C17H16O4/c1-10-12(18)8-15-16(17(10)20-2)13(19)9-14(21-15)11-6-4-3-5-7-11/h3-8,14,18H,9H2,1-2H3/t14-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101890692

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
482968

> <CITATION>
32476473

$$$$