LMPK12120072
  LIPID_MAPS_STRUCTURE_DATABASE

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.2672    7.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2672    7.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9802    6.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6932    7.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6932    7.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9802    8.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4062    6.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1192    7.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8320    6.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5447    7.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2638    6.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9828    7.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9828    7.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2638    8.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5447    7.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4062    5.9569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9802    9.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6395    9.4498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.2461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7017    8.2564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9802    5.7762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8959    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  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
  6 17  1  0  0  0  0
 17 18  2  0  0  0  0
  1 19  1  0  0  0  0
 13 20  1  0  0  0  0
  3 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120072

> <COMMON_NAME>
Isoneobavachalcone

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H14O5

> <MASS>
298.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BEHXEFBQMCUZNX-QPJJXVBHSA-N

> <INCHI>
InChI=1S/C17H14O5/c1-22-17-9-16(21)12(10-18)8-14(17)15(20)7-4-11-2-5-13(19)6-3-11/h2-10,19,21H,1H3/b7-4+

> <SMILES>
C1(O)=C(C=O)C=C(C(=O)/C=C/C2C=CC(O)=CC=2)C(OC)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187439

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5318608

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$