LMPK12020252
  LIPID_MAPS_STRUCTURE_DATABASE

 22 25  0     0  0            999 V2000
    7.1495    7.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1495    6.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9885    6.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8275    6.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8275    7.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9885    8.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6666    6.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5056    6.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5056    7.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6666    8.2711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3604    8.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2154    7.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0705    8.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0705    9.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2153    9.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3604    9.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0096    7.9752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5900    8.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0096    9.5726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5056    9.7612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    8.2801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    9.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  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
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 16 20  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020252

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
2'-Hydroxy-7-methoxy-4',5'-methylenedioxyflavan

> <FORMULA>
C17H16O5

> <MASS>
300.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SEXFFYIXMCVNNG-AWEZNQCLSA-N

> <INCHI>
InChI=1S/C17H16O5/c1-19-11-4-2-10-3-5-14(22-15(10)6-11)12-7-16-17(8-13(12)18)21-9-20-16/h2,4,6-8,14,18H,3,5,9H2,1H3/t14-/m0/s1

> <SMILES>
C1(OC)=CC2O[C@H](C3C(O)=CC4OCOC=4C=3)CCC=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
193442

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257183

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 224860

> <CITATION>
-

$$$$