LMPK12070010
  LIPID_MAPS_STRUCTURE_DATABASE

 26 30  0  0  0  0  0  0  0  0999 V2000
    6.2047   10.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2047    9.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8827    9.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5606    9.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5606   10.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8827   10.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2386    9.0089    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9166    9.4004    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9166   10.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2386   10.5747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5943    9.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5943    8.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3192    7.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0441    8.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0441    9.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3192    9.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2407    8.1724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7682    7.7540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3192    6.9174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0433    6.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0433    5.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3206    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7660    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4602   10.4252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4602    9.1585    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
  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
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  1 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26  2  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070010

> <COMMON_NAME>
Erybraedin E

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H20O4

> <MASS>
348.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VAVHXRDWDOYXSV-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H20O4/c1-12(2)3-4-15-18(23)6-5-14-17-11-25-20-10-19-13(7-8-24-19)9-16(20)22(17)26-21(14)15/h3,5-10,17,22-23H,4,11H2,1-2H3

> <SMILES>
C12OC=CC1=CC1C3OC4C(C/C=C(/C)\C)=C(O)C=CC=4C3COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
471690

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$