LMPK12070072
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0  0  0  0  0  0  0  0999 V2000
    9.1179   -5.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1088   -6.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9438   -7.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7877   -6.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7965   -5.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9615   -5.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6225   -7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4665   -6.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4754   -5.8956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6403   -5.4034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8153   -8.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7783   -8.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1808   -7.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3407   -9.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3057   -9.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7081   -8.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1456   -7.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0081   -7.7793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9805   -6.4789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9705   -4.4185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2565   -5.3568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8860   -9.9133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8814   -9.8179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3859   -5.8488    0.0000 C   0  0  0  0  0  0  0  0  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
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
  7 18  1  6  0  0  0
  8 19  1  6  0  0  0
  6 20  1  0  0  0  0
  1 21  1  0     0  0
 15 22  1  0     0  0
 22 23  1  0     0  0
 21 24  1  0     0  0
M  END
> <LM_ID>
LMPK12070072

> <COMMON_NAME>
4-Hydroxyhomopterocarpin

> <SYSTEMATIC_NAME>
[6aR,11aR,(-)]-6a,11a-Dihydro-3,9-dimethoxy-6H-benzofuro[3,2-c][1]benzopyran-4-ol

> <FORMULA>
C17H16O5

> <MASS>
300.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Melilotocarpan A

> <INCHI_KEY>
YHSXPHNOIMTWTH-LRDDRELGSA-N

> <INCHI>
InChI=1S/C17H16O5/c1-19-9-3-4-10-12-8-21-17-11(16(12)22-14(10)7-9)5-6-13(20-2)15(17)18/h3-7,12,16,18H,8H2,1-2H3/t12-,16-/m0/s1

> <SMILES>
C1(OC)=C(O)C2OC[C@@]3([H])C4C=CC(OC)=CC=4O[C@@]3([H])C=2C=C1

> <KEGG_ID>
C10461

> <HMDB_ID>
-

> <CHEBI_ID>
1867

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442792

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 47082

> <CITATION>
-

$$$$