LMPK12020218
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0     0  0            999 V2000
   12.2416    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3755    9.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5096    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5096    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3755    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2416    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6435    9.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7775    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7775    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6435    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9114    9.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0455    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0455    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9114    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1077    9.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9736    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8397    9.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8397   10.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9736   11.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1077   10.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7057   11.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7034   10.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6435    6.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7775    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3755    6.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2416    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1077    7.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9736    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  4  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  1 15  1  6  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 10 24  1  0  0  0  0
  5 26  1  1  0  0  0
  6 28  1  1  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020218

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3beta,4beta,5-Trimethoxy-4'-hydroxy- (6:7)-2,2-dimethylpyranoflavan

> <FORMULA>
C23H26O6

> <MASS>
398.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KAMSUIMVPLJLGA-BAGYTPMASA-N

> <INCHI>
InChI=1S/C23H26O6/c1-23(2)11-10-15-16(29-23)12-17-18(20(15)25-3)21(26-4)22(27-5)19(28-17)13-6-8-14(24)9-7-13/h6-12,19,21-22,24H,1-5H3/t19-,21+,22-/m1/s1

> <SMILES>
[C@@H]1(C2C=CC(O)=CC=2)[C@@H](OC)[C@@H](OC)C2=C(OC)C3C=CC(C)(C)OC=3C=C2O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
636704

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3925

> <CITATION>
12052520

$$$$