LMPK12070129
  LIPID_MAPS_STRUCTURE_DATABASE

 25 29  0  0  0  0  0  0  0  0999 V2000
    9.4544   -8.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4545   -9.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3179   -9.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1812   -9.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1809   -8.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3178   -7.7449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0446   -9.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9077   -9.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9075   -8.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0443   -7.7449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2517  -10.7135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2431  -10.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6485   -9.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8292  -11.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8206  -11.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2258  -10.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6399   -9.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5912   -7.7449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2380  -10.3245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8183   -8.8346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5614  -12.1869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4247  -11.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2172  -10.7131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5518   -9.7619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6487   -9.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  7 11  1  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13  8  1  0     0  0
 12 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 17 13  1  0     0  0
 18  1  1  0     0  0
  7 19  1  6     0  0
  8 20  1  6     0  0
 15 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 16  1  0     0  0
  2 24  1  0     0  0
 24 25  1  0     0  0
M  END
> <LM_ID>
LMPK12070129

> <COMMON_NAME>
Hildecarpin

> <SYSTEMATIC_NAME>
3,6a-Dihydroxy-2-methoxy-8,9-methylenedioxypterocarpan

> <FORMULA>
C17H14O7

> <MASS>
330.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DQXBSJMCLQLJKV-DLBZAZTESA-N

> <INCHI>
InChI=1S/C17H14O7/c1-20-13-2-8-11(4-10(13)18)21-6-17(19)9-3-14-15(23-7-22-14)5-12(9)24-16(8)17/h2-5,16,18-19H,6-7H2,1H3/t16-,17+/m0/s1

> <SMILES>
C1(O)=CC2OC[C@@]3(O)C4C=C5OCOC5=CC=4O[C@@]3([H])C=2C=C1OC

> <KEGG_ID>
C10424

> <HMDB_ID>
-

> <CHEBI_ID>
5718

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442773

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 47097

> <CITATION>
-

$$$$