LMPK12020250
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0     0  0            999 V2000
    7.5914    7.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5914    6.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4505    6.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3096    6.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3096    7.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4505    8.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1687    6.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0278    6.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0278    7.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1687    8.3445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8866    8.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7623    7.8386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6378    8.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6378    9.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7623    9.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8866    9.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.3442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5994    8.0319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1937    8.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5994    9.6677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0112    9.8607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4505    9.3361    0.0000 C   0  0  0  0  0  0  0  0  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
  1 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 14  1  0  0  0  0
 16 21  1  0  0  0  0
  2 22  1  0  0  0  0
  6 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020250

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
7,2'-Dihydroxy-6,8-dimethyl-4',5'-methylenedioxyflavan

> <FORMULA>
C18H18O5

> <MASS>
314.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BXJVXSUYCLJDOQ-AWEZNQCLSA-N

> <INCHI>
InChI=1S/C18H18O5/c1-9-5-11-3-4-14(23-18(11)10(2)17(9)20)12-6-15-16(7-13(12)19)22-8-21-15/h5-7,14,19-20H,3-4,8H2,1-2H3/t14-/m0/s1

> <SMILES>
C1(O)=C(C)C2O[C@H](C3C(O)=CC4OCOC=4C=3)CCC=2C=C1C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187161

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257181

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 224860

> <CITATION>
-

$$$$