LMPK12130044
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    8.6423    7.5511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6423    8.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7818    9.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9209    8.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9209    7.5511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7818    7.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5874    7.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1715    8.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5874    8.8520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.0418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9036    8.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3687    8.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8665    7.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8619    7.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3596    8.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8619    8.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8665    8.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3532    8.0481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8266    6.3513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3587    9.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3587    6.3254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7818    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
  8 11  2  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 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
  7 19  2  0  0  0  0
 16 20  1  0  0  0  0
 14 21  1  0  0  0  0
  6 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12130044

> <COMMON_NAME>
Bracteatin

> <SYSTEMATIC_NAME>
4,6-Dihydroxy-2-[(3,4,5-trihydroxyphenyl)methylene]benzofuran-3(2H)-one

> <FORMULA>
C15H10O7

> <MASS>
302.04

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Aurone flavonoids [PK1213]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ACAAVKGSTVOIQB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H10O7/c16-7-4-8(17)13-11(5-7)22-12(15(13)21)3-6-1-9(18)14(20)10(19)2-6/h1-5,16-20H

> <SMILES>
C12C(=O)C(=CC3C=C(O)C(O)=C(O)C=3)OC=1C=C(O)C=C2O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
3163

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
441650

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 152196; 29583

> <CITATION>
-

$$$$