LMPK12070137
  LIPID_MAPS_STRUCTURE_DATABASE

 26 30  0  0  0  0            999 V2000
    8.9145   -6.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9145   -6.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7110   -7.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5076   -6.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5076   -6.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7110   -5.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3040   -7.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1005   -6.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1005   -6.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3040   -5.6038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8969   -7.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8969   -8.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7484   -8.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6000   -8.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6000   -7.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7484   -6.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3125   -8.4262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9519   -6.4918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5353   -8.7303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1134   -7.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5353   -7.1393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0631   -7.4748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0631   -5.5721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6151   -7.8219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1971   -6.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1971   -6.0721    0.0000 C   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
  8 18  1  1     0  0
 14 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 15  1  0     0  0
  2 22  1  0     0  0
  1 23  1  0     0  0
  7 24  1  1     0  0
 22 25  1  0     0  0
 23 26  1  0     0  0
M  END
> <LM_ID>
LMPK12070137

> <COMMON_NAME>
Lathycarpin

> <SYSTEMATIC_NAME>
(6aR,11aR)-2,3-dimethoxy-6a-Hydroxy-8,9-methylenedioxypterocarpan

> <FORMULA>
C18H16O7

> <MASS>
344.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
6a-Hydroxy-2,3-dimethoxy-8,9-methylenedioxypterocarpan

> <INCHI_KEY>
OPUNZSMLSXSMJN-MSOLQXFVSA-N

> <INCHI>
InChI=1S/C18H16O7/c1-20-13-3-9-11(5-14(13)21-2)22-7-18(19)10-4-15-16(24-8-23-15)6-12(10)25-17(9)18/h3-6,17,19H,7-8H2,1-2H3/t17-,18+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0034013

> <CHEBI_ID>
186287

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
162843416

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3860

> <CITATION>
-

$$$$