LMPK12070077
  LIPID_MAPS_STRUCTURE_DATABASE

 21 24  0  0  0  0  0  0  0  0999 V2000
    6.8673    8.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8673    8.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6737    7.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4803    8.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4803    8.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6737    9.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2867    7.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0931    8.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0931    8.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2867    9.4164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7618    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6241    6.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6241    7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7618    8.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2867    6.5589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4305    6.0929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6737   10.3477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  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
 14 18  1  0  0  0  0
 12 17  1  0  0  0  0
  6 19  1  0  0  0  0
  1 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070077

> <COMMON_NAME>
Melilotocarpan B

> <SYSTEMATIC_NAME>
(6aR)-6aalpha,11aalpha-Dihydro-3-methoxy-6H-benzofuro [3,2-c][1]benzopyran-4,9-diol

> <FORMULA>
C16H14O5

> <MASS>
286.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QDFJNOVWEADTGJ-UHFFFAOYSA-N

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

> <SMILES>
C1(OC)=C(O)C2OCC3C4C=CC(O)=CC=4OC3C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0029527

> <CHEBI_ID>
172519

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257459

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 47082

> <CITATION>
-

$$$$