LMPK12080044
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    6.8590   10.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8590    9.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6575    9.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4559    9.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4559   10.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6575   10.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2544    9.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0528    9.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0528   10.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2544   10.8972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8513    9.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8514    8.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7051    7.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5588    8.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5588    9.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7051    9.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0528    7.6065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.0533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7051    6.6526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7304    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3572    7.6065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6002    8.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6575   11.8190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9006   12.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  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
  8 11  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 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  1  2  1  0  0  0  0
 12 17  1  0  0  0  0
  2 18  1  0  0  0  0
 13 19  1  0  0  0  0
  1 21  1  0  0  0  0
 14 23  1  0  0  0  0
  6 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12080044

> <COMMON_NAME>
Machaerol B

> <SYSTEMATIC_NAME>
6,2'-Dihydroxy-7,8,3',4'-tetramethoxyisoflavan

> <FORMULA>
C19H22O7

> <MASS>
362.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BYLATFGKENNWEF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H22O7/c1-22-14-6-5-12(15(21)18(14)24-3)11-7-10-8-13(20)17(23-2)19(25-4)16(10)26-9-11/h5-6,8,11,20-21H,7,9H2,1-4H3

> <SMILES>
C1(OC)C(O)=CC2CC(C3C=CC(OC)=C(OC)C=3O)COC=2C=1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257515

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1954621

> <CITATION>
-

$$$$