LMPK12020226
  LIPID_MAPS_STRUCTURE_DATABASE

 24 28  0  0  0  0  0  0  0  0999 V2000
    7.6461    7.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6461    6.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3432    6.5694    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0404    6.9720    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0404    7.7770    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3432    8.1794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7376    6.5694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4348    6.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4348    7.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7376    8.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9488    8.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2516    7.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2516    6.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9488    6.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.1794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1319    8.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1319    8.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4348    9.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7376    8.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8289    9.3869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8289    7.7772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3708    8.5821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3432    5.7643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2385    5.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 23 24  1  0  0  0  0
  1  2  2  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
  4  7  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  6  0  0  0
 11  1  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  2  1  0  0  0  0
 12 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 10  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 20  1  0  0  0  0
  3 23  1  6  0  0  0
M  END
> <LM_ID>
LMPK12020226

> <COMMON_NAME>
4-O-Methyl-3',4'-methylenedioxymopanan-4alpha-ol

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H16O6

> <MASS>
328.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UCGKJWSJSJGUBQ-KURKYZTESA-N

> <INCHI>
InChI=1S/C18H16O6/c1-20-16-11-3-2-9(19)6-14(11)24-17-10-4-5-13-15(23-8-22-13)12(10)7-21-18(16)17/h2-6,16-19H,7-8H2,1H3/t16-,17-,18+/m1/s1

> <SMILES>
C12C=C(O)C=CC=1[C@@H](OC)[C@@H]1OCC3C4OCOC=4C=CC=3[C@H]1O2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257172

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$