LMPK12020008
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  0     0  0            999 V2000
   12.1459    8.2716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2740    7.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4067    8.2688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5395    7.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5395    6.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4067    6.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2740    6.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6721    8.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8048    7.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8048    6.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6721    6.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1459    6.2632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0308    7.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9155    8.2716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9155    9.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0308    9.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1459    9.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6315    9.7066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9328    8.2716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  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  7  1  0  0  0  0
  7  2  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  9 19  1  0  0  0  0
  7 12  1  1  0  0  0
  1 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17  1  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020008

> <COMMON_NAME>
Guibourtinidol-7-methyl ether

> <SYSTEMATIC_NAME>
(2R,3S)-4'-Hydroxy-7-methoxyflavan-3-ol

> <FORMULA>
C16H16O4

> <MASS>
272.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XPHACJZIOXWENC-GOEBONIOSA-N

> <INCHI>
InChI=1S/C16H16O4/c1-19-13-7-4-11-8-14(18)16(20-15(11)9-13)10-2-5-12(17)6-3-10/h2-7,9,14,16-18H,8H2,1H3/t14-,16+/m0/s1

> <SMILES>
C1(C=CC(O)=CC=1)[C@@H]1[C@@H](O)CC2C=CC(OC)=CC=2O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180151

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15549896

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 209086

> <CITATION>
-

$$$$