LMPK12070155
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0  0  0  0  0  0  0  0999 V2000
    5.6515    8.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6515    7.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3030    7.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9544    7.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9544    8.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3030    8.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6058    7.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2572    7.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2572    8.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6058    8.9459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9084    7.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9084    6.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6049    6.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3013    6.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3013    7.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6049    7.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6058    6.6376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3030    9.6981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6049    5.4830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4416    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9527    6.2613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9668    6.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.9459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   10.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  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  2  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
  6 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 21  1  0  0  0  0
  1 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070155

> <COMMON_NAME>
Bryacarpene 4

> <SYSTEMATIC_NAME>
4-Hydroxy-3,9,10-trimethoxypterocarpene

> <FORMULA>
C18H16O6

> <MASS>
328.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VXLPCXJIKXLNSX-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O6/c1-20-12-6-5-10-15-11(8-23-16(10)14(12)19)9-4-7-13(21-2)18(22-3)17(9)24-15/h4-7,19H,8H2,1-3H3

> <SMILES>
C1(OC)C=CC2C3OC4=C(OC)C(OC)=CC=C4C=3COC=2C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257502

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$