LMPK12070089
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0  0  0  0            999 V2000
    9.2430   -5.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2444   -6.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0349   -7.0535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8241   -6.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8227   -5.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0323   -5.2295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6145   -7.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4038   -6.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4024   -5.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6118   -5.2272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1939   -7.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1954   -8.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0406   -8.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8845   -8.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8829   -7.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0377   -6.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6242   -8.0257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0232   -4.3174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0735   -7.5762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3762   -5.1880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3792   -7.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5124   -6.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7512   -8.5200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6165   -8.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5109   -5.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1230   -6.0205    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
  6 18  1  0     0  0
  7 19  1  6     0  0
  1 20  1  0     0  0
  2 21  1  0     0  0
 21 22  1  0     0  0
 14 23  1  0     0  0
 23 24  1  0     0  0
 20 25  1  0     0  0
  8 26  1  6     0  0
M  END
> <LM_ID>
LMPK12070089

> <COMMON_NAME>
4-Hydroxy-2,3,9-trimethoxypterocarpan

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H18O6

> <MASS>
330.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
APDOGYRSSCEXNB-LRDDRELGSA-N

> <INCHI>
InChI=1S/C18H18O6/c1-20-9-4-5-10-12-8-23-17-11(16(12)24-13(10)6-9)7-14(21-2)18(22-3)15(17)19/h4-7,12,16,19H,8H2,1-3H3/t12-,16-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0033817

> <CHEBI_ID>
175208

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
119025664

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3888

> <CITATION>
-

$$$$