LMPK12070152
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.6827    8.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6827    7.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3653    7.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0478    7.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0478    8.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3653    9.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7304    7.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4129    7.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4129    8.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7304    9.0225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0953    7.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0953    6.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8251    6.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5548    6.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5548    7.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8251    7.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7304    6.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2373    6.2095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9199    6.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8251    5.3941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5076    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.0226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  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
 14 18  1  0  0  0  0
 13 20  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070152

> <COMMON_NAME>
Bryacarpene 5

> <SYSTEMATIC_NAME>
3,9,10-Trimethoxypterocarpene

> <FORMULA>
C18H16O5

> <MASS>
312.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NQKNGQMKVPLTTJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O5/c1-19-10-4-5-12-15(8-10)22-9-13-11-6-7-14(20-2)18(21-3)17(11)23-16(12)13/h4-8H,9H2,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257499

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$