LMPK12070087
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0  0  0  0            999 V2000
    9.0235   -5.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0235   -6.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8060   -6.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5884   -6.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5884   -5.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8060   -4.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3708   -6.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1532   -6.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1532   -5.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3708   -4.8899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9353   -6.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9353   -7.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7720   -8.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6083   -7.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6083   -6.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7720   -6.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3708   -7.6622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7720   -9.0491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8060   -3.9864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0239   -3.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3908   -8.1144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3908   -9.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2411   -4.8898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2411   -3.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5853   -5.8630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8298   -7.1396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  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
 13 18  1  0  0  0  0
  6 19  1  0  0  0  0
 14 21  1  0  0  0  0
  1 23  1  0  0  0  0
  8 25  1  6     0  0
  7 26  1  6     0  0
M  END
> <LM_ID>
LMPK12070087

> <COMMON_NAME>
Odoricarpan

> <SYSTEMATIC_NAME>
10-Hydroxy-3,4,9-trimethoxypterocarpan

> <FORMULA>
C18H18O6

> <MASS>
330.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YVRAOSSDJCUVDM-NHYWBVRUSA-N

> <INCHI>
InChI=1S/C18H18O6/c1-20-12-6-4-9-11-8-23-17-10(15(11)24-16(9)14(12)19)5-7-13(21-2)18(17)22-3/h4-7,11,15,19H,8H2,1-3H3/t11-,15-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0128540

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101631769

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 499988

> <CITATION>
1446367

$$$$