LMPK12080044
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    5.6587    8.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6587    7.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3174    7.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9761    7.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9761    8.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3174    8.9901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6349    7.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2936    7.8493    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2936    8.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6349    8.9902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9523    7.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9524    6.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6567    6.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3610    6.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3610    7.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6567    7.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2936    6.2754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.4690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6567    5.4884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5026    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.9901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   10.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0197    6.2754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0452    6.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3174    9.7507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3430   10.3428    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

> <CITATION>
-

$$$$