LMPK12070080
  LIPID_MAPS_STRUCTURE_DATABASE

 22 26  0  0  0  0  0  0  0  0999 V2000
    6.8799    8.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8799    8.0508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6993    7.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5185    8.0508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5185    8.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6993    9.4698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3378    7.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1572    8.0508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1572    8.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3378    9.4698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9762    7.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9762    6.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8522    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7282    6.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7282    7.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8522    8.0836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3464    6.5668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.4698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6900    6.2538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2846    7.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6900    7.8905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6993   10.4156    0.0000 O   0  0  0  0  0  0  0  0  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  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 18  1  1  0  0  0  0
 12 17  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
  6 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070080

> <COMMON_NAME>
4-Hydroxymaackiain

> <SYSTEMATIC_NAME>
3,4-Dihydroxy-8,9-methylenedioxypterocarpan

> <FORMULA>
C16H12O6

> <MASS>
300.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GGIPOZCJJKKBBV-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O6/c17-10-2-1-7-15-9(5-19-16(7)14(10)18)8-3-12-13(21-6-20-12)4-11(8)22-15/h1-4,9,15,17-18H,5-6H2

> <SMILES>
C1(O)C=CC2C3OC4=CC5OCOC=5C=C4C3COC=2C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24013844

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1353472

> <CITATION>
-

$$$$