LMPK12070052
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0  0  0  0            999 V2000
    8.4407   -4.7597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4407   -5.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2471   -6.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0535   -5.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0535   -4.7597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2471   -4.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8600   -6.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6665   -5.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6665   -4.7597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8600   -4.2940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4726   -6.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4726   -7.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3349   -7.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1971   -7.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1971   -6.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3349   -5.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8600   -7.1518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6340   -4.2940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3349   -8.5810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0036   -7.6175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2591   -6.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1478   -5.3183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2953   -6.4486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  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
 18  1  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
  8 22  1  6     0  0
  7 23  1  6     0  0
M  END
> <LM_ID>
LMPK12070052

> <COMMON_NAME>
Vesticarpan

> <SYSTEMATIC_NAME>
(6aS,11aS)-3,10-Dihydroxy-9-methoxypterocarpan

> <FORMULA>
C16H14O5

> <MASS>
286.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JAAWOQQDCOFLRV-NHYWBVRUSA-N

> <INCHI>
InChI=1S/C16H14O5/c1-19-12-5-4-9-11-7-20-13-6-8(17)2-3-10(13)15(11)21-16(9)14(12)18/h2-6,11,15,17-18H,7H2,1H3/t11-,15-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178311

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
154804627

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 557753; 53897

> <CITATION>
-

$$$$