LMPK12130053
  LIPID_MAPS_STRUCTURE_DATABASE

 21 24  0  0  0  0  0  0  0  0999 V2000
    9.3340    7.6455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3340    8.6469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4668    9.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5994    8.6469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5994    7.6455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4668    7.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2866    7.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8752    8.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2866    8.9564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8762    8.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3767    9.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    6.5843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8552    6.9753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2627    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2585    6.1652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    9.1474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4098    9.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9263    9.9079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4098   10.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3767   10.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8602    9.9079    0.0000 C   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
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
  7 12  2  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  6  1  0  0  0  0
  4 16  1  0  0  0  0
 11 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 11  1  0  0  0  0
M  END
> <LM_ID>
LMPK12130053

> <COMMON_NAME>
Cephalocerone

> <SYSTEMATIC_NAME>
4,5-Methylenedioxy-6-hydroxyaurone

> <FORMULA>
C16H10O5

> <MASS>
282.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Aurone flavonoids [PK1213]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(Z)-4-Hydroxy-7-(phenylmethylene)-furo[3,2-e]-1,3-benzodioxol-8(7H)-one

> <INCHI_KEY>
KLYHONUCJQKOKE-SDQBBNPISA-N

> <INCHI>
InChI=1S/C16H10O5/c17-10-7-11-13(16-15(10)19-8-20-16)14(18)12(21-11)6-9-4-2-1-3-5-9/h1-7,17H,8H2/b12-6-

> <SMILES>
C12C(=O)/C(=C/C3C=CC=CC=3)/OC=1C=C(O)C1OCOC=12

> <KEGG_ID>
C08722

> <HMDB_ID>
-

> <CHEBI_ID>
1749

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281293

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 223054

> <CITATION>
-

$$$$