LMPK12070144
  LIPID_MAPS_STRUCTURE_DATABASE

 21 25  0  0  0  0  0  0  0  0999 V2000
    7.5248    9.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5248    8.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3488    7.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1728    8.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1728    9.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3488    9.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9969    7.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8209    8.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8209    9.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9969    9.4894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6447    7.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6447    6.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5256    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4067    6.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4067    7.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5256    8.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0057    6.5696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6199    9.3077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6199    7.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2870    6.0611    0.0000 O   0  0  0  0  0  0  0  0  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
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20  2  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070144

> <COMMON_NAME>
Neorauteen

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H10O4

> <MASS>
278.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KCCUSAGBTAEBAW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H10O4/c18-10-1-2-11-13-8-20-15-7-14-9(3-4-19-14)5-12(15)17(13)21-16(11)6-10/h1-7,18H,8H2

> <SMILES>
C12OC=CC1=CC1C3OC4=CC(O)=CC=C4C=3COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257497

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 167619

> <CITATION>
-

$$$$