LMPK12070082
  LIPID_MAPS_STRUCTURE_DATABASE

 25 29  0  0  0  0            999 V2000
    9.0331   -6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0331   -7.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8465   -7.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6601   -7.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6601   -6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8465   -5.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4735   -7.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2871   -7.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2871   -6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4735   -5.6846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1003   -7.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1003   -8.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9701   -9.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8399   -8.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8399   -7.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9701   -7.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4735   -8.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7951   -8.8778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3854   -8.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7951   -7.2527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8465   -4.6808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1637   -5.6523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2843   -6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8439   -6.7862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8442   -7.9960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  5  1  0     0  0
  8 11  1  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 11  2  0     0  0
  7 17  1  0     0  0
  1  2  1  0     0  0
 12 17  1  0     0  0
 14 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 15  1  0     0  0
  6 21  1  0     0  0
  1 22  1  0     0  0
 22 23  1  0     0  0
  8 24  1  6     0  0
  7 25  1  6     0  0
M  END
> <LM_ID>
LMPK12070082

> <COMMON_NAME>
4-Hydroxypterocarpin

> <SYSTEMATIC_NAME>
4-Hydroxy-3-methoxy-8,9-methylenedioxypterocarpan

> <FORMULA>
C17H14O6

> <MASS>
314.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZMNZBIACDAJCIU-QFYYESIMSA-N

> <INCHI>
InChI=1S/C17H14O6/c1-19-11-3-2-8-16-10(6-20-17(8)15(11)18)9-4-13-14(22-7-21-13)5-12(9)23-16/h2-5,10,16,18H,6-7H2,1H3/t10-,16-/m0/s1

> <SMILES>
C1(OC)C=CC2[C@]3([H])OC4=CC5OCOC=5C=C4[C@]3([H])COC=2C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
155518405

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1353472

> <CITATION>
-

$$$$