LMPK12020214
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0     0  0            999 V2000
    7.5772    9.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5772    8.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4218    7.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2664    8.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2664    9.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4218    9.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1111    7.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9557    8.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9557    9.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1111    9.9035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8003    9.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6611    9.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5219    9.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5219   10.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6611   11.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8003   10.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1111    6.9774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.9033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8003    7.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4218   10.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4218    6.9774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5066    6.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3665   11.3850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4513   10.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  0  0  0  0
 24 25  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  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  1  1  0  0  0
 18  1  1  0  0  0  0
  8 19  1  1  0  0  0
  2 20  1  0  0  0  0
  6 21  1  0  0  0  0
 14 24  1  0  0  0  0
  3 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020214

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3,4,7-Trihydroxy-5,4'-dimethoxy-6,8-dimethylflavan

> <FORMULA>
C19H22O6

> <MASS>
346.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JPKVJHFTLRHPOD-TXPKVOOTSA-N

> <INCHI>
InChI=1S/C19H22O6/c1-9-14(20)10(2)18-13(17(9)24-4)15(21)16(22)19(25-18)11-5-7-12(23-3)8-6-11/h5-8,15-16,19-22H,1-4H3/t15-,16-,19+/m0/s1

> <SMILES>
C1(O)=C(C)C2O[C@H](C3C=CC(OC)=CC=3)[C@@H](O)[C@@H](O)C=2C(OC)=C1C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178405

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257165

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 872462

> <CITATION>
-

$$$$