LMPK12070064
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0            999 V2000
    9.0328   -5.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0251   -6.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8084   -6.5797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5994   -6.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6071   -5.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8238   -4.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3827   -6.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1736   -6.1454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1814   -5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3980   -4.7753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9567   -6.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9486   -7.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7860   -8.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6317   -7.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6399   -6.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8024   -6.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3827   -7.5645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2455   -4.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2455   -3.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4190   -8.0467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2379   -6.5734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2379   -7.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2850   -7.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7647   -5.7276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8264   -7.0156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  1  0  0  0  0
 21 22  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  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
  1 18  1  0  0  0  0
 14 20  1  0  0  0  0
  2 21  1  0  0  0  0
 20 23  1  0     0  0
  8 24  1  6     0  0
  7 25  1  6     0  0
M  END
> <LM_ID>
LMPK12070064

> <COMMON_NAME>
2-Methoxyhomopterocarpin

> <SYSTEMATIC_NAME>
2,3,9-Trimethoxypterocarpan

> <FORMULA>
C18H18O5

> <MASS>
314.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XCRBPIBUMBLGCZ-UGSOOPFHSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0033787

> <CHEBI_ID>
175030

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
71182790

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3888

> <CITATION>
-

$$$$