LMPK12070090
  LIPID_MAPS_STRUCTURE_DATABASE

 27 31  0  0  0  0            999 V2000
    9.0266   -6.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0266   -7.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8179   -7.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6090   -7.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6090   -6.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8179   -5.7269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4003   -7.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1915   -7.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1915   -6.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4003   -5.7269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9822   -7.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9822   -8.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8283   -9.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6741   -8.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6741   -7.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8283   -7.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4003   -8.5305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2355   -7.5541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6032   -8.8325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1773   -8.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6032   -7.2521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8179   -4.7505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0497   -4.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1812   -5.6956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1812   -4.2733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7825   -6.7046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7843   -8.0041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  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
  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
  7 17  1  0  0  0  0
 12 17  1  0  0  0  0
  2 18  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
  1 24  1  0  0  0  0
  8 26  1  6     0  0
  7 27  1  6     0  0
M  END
> <LM_ID>
LMPK12070090

> <COMMON_NAME>
2-Hydroxy-4-methoxypterocarpin

> <SYSTEMATIC_NAME>
2-Hydroxy-3,4-dimethoxy-8,9-methylenedioxypterocarpan

> <FORMULA>
C18H16O7

> <MASS>
344.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GPFUEUABGPAZKE-BONVTDFDSA-N

> <INCHI>
InChI=1S/C18H16O7/c1-20-17-11(19)3-9-15-10(6-22-16(9)18(17)21-2)8-4-13-14(24-7-23-13)5-12(8)25-15/h3-5,10,15,19H,6-7H2,1-2H3/t10-,15-/m0/s1

> <SMILES>
C1(OC)=C(OC)C2OC[C@@]3([H])C4C=C5OCOC5=CC=4O[C@@]3([H])C=2C=C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44584113

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1311270

> <CITATION>
11858751

$$$$