LMPK12120014
  LIPID_MAPS_STRUCTURE_DATABASE

 28 30  0  0  0  0  0  0  0  0999 V2000
    8.0489    7.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0489    6.2405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7651    5.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4814    6.2405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4814    7.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7651    7.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1976    5.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9139    6.2405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6298    5.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3458    6.2405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0681    5.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7904    6.2405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7904    7.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0681    7.4916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3458    7.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1976    5.1815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7651    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4304    6.2405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1467    5.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    5.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    5.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3329    7.4809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7651    8.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0491    8.7213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3331    8.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9281    9.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5960    8.1104    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  2  0  0  0  0
  9 10  1  0  0  0  0
 10 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 10  1  0  0  0  0
  7 16  2  0  0  0  0
 17  3  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
  2 19  1  0  0  0  0
  1 23  1  0  0  0  0
  6 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 23  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120014

> <COMMON_NAME>
Spinochalcone C

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H26O3

> <MASS>
374.19

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UKLAAWWFUMSUTQ-ACCUITESSA-N

> <INCHI>
InChI=1S/C25H26O3/c1-17(2)10-12-20-23(27)21(16-19-14-15-25(3,4)28-24(19)20)22(26)13-11-18-8-6-5-7-9-18/h5-11,13-16,27H,12H2,1-4H3/b13-11+

> <SMILES>
C12OC(C)(C)C=CC=1C=C(C(=O)/C=C/C1C=CC=CC=1)C(O)=C2C/C=C(\C)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186218

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607519

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$