LMPK12070129
  LIPID_MAPS_STRUCTURE_DATABASE

 25 29  0  0  0  0  0  0  0  0999 V2000
    6.2375    8.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2376    7.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9208    6.9374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6039    7.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6037    8.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9207    8.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2871    6.9374    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9701    7.3318    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9700    8.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2869    8.5150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4510    6.1659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2355    6.0836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5563    6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    5.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4838    5.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8045    6.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3408    6.8866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.5150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6489    6.4737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6907    7.6527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0700    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7532    5.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5890    6.1662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2376    8.5937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0555    9.2763    0.0000 C   0  0  0  0  0  0  0  0  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
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
 18  1  1  0  0  0  0
  7 19  1  6  0  0  0
  8 20  1  6  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 16  1  0  0  0  0
  2 24  1  0  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

> <CITATION>
-

$$$$