LMPK12020173
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.6807    7.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6807    6.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3616    6.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0422    6.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0422    7.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3616    7.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7229    6.2909    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4035    6.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4035    7.4699    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7229    7.8628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0843    7.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7780    7.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4717    7.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4717    8.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7780    9.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0843    8.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7229    5.5048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1525    9.0570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0267    8.5522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.8629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3616    5.5046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2358    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  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  1  0  0  0  0
 14 18  1  0  0  0  0
  1 20  1  0  0  0  0
  3 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020173

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
4-Hydroxy-5,7,4'-trimethoxyflavan

> <FORMULA>
C18H20O5

> <MASS>
316.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XCMICCXLNOOUBF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H20O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-9,14-15,19H,10H2,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187260

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
584467

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$