LMPK12070076
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0            999 V2000
    9.0464   -5.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0464   -6.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8259   -6.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6054   -6.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6054   -5.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8259   -4.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3849   -6.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1643   -6.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1643   -5.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3849   -4.8944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9436   -6.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9436   -7.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7772   -8.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6105   -7.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6105   -6.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7772   -6.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3849   -7.6565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3900   -8.1069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8259   -3.9943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2668   -4.8944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2561   -7.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8440   -6.9536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7303   -5.8696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2669   -3.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6919   -3.4943    0.0000 C   0  0  0  0  0  0  0  0  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  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
  6 19  1  0  0  0  0
  1 20  1  0  0  0  0
 18 21  1  0     0  0
  7 22  1  6     0  0
  8 23  1  6     0  0
 20 24  1  0     0  0
 19 25  1  0     0  0
M  END
> <LM_ID>
LMPK12070076

> <COMMON_NAME>
4-Methoxyhomopterocarpin

> <SYSTEMATIC_NAME>
3,4,9-Trimethoxypterocarpan

> <FORMULA>
C18H18O5

> <MASS>
314.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XLPOISABZDNFQM-BBRMVZONSA-N

> <INCHI>
InChI=1S/C18H18O5/c1-19-10-4-5-11-13-9-22-17-12(16(13)23-15(11)8-10)6-7-14(20-2)18(17)21-3/h4-8,13,16H,9H2,1-3H3/t13-,16-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0030567

> <CHEBI_ID>
175028

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257458

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 149635

> <CITATION>
-

$$$$