LMPK12020234
  LIPID_MAPS_STRUCTURE_DATABASE

 19 21  0     0  0            999 V2000
    7.1337    7.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1337    6.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9729    6.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8120    6.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8120    7.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9729    8.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6513    6.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4904    6.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4904    7.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6513    8.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3296    8.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1848    7.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0401    8.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0401    9.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1848    9.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3296    9.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8793    9.7343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    8.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2944    9.2621    0.0000 C   0  0  0  0  0  0  0  0  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  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
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0     0  0
M  END
> <LM_ID>
LMPK12020234

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
4'-Hydroxy-7-methoxyflavan

> <FORMULA>
C16H16O3

> <MASS>
256.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HQIYVJDLRVEGDX-HNNXBMFYSA-N

> <INCHI>
InChI=1S/C16H16O3/c1-18-14-8-4-12-5-9-15(19-16(12)10-14)11-2-6-13(17)7-3-11/h2-4,6-8,10,15,17H,5,9H2,1H3/t15-/m0/s1

> <SMILES>
C1(OC)=CC2O[C@H](C3C=CC(O)=CC=3)CCC=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
185609

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 232750

> <CITATION>
-

$$$$