LMPK12120053
  LIPID_MAPS_STRUCTURE_DATABASE

 29 30  0  0  0  0  0  0  0  0999 V2000
   14.9870    7.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9870    6.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7011    6.0434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4152    6.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4152    7.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7011    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5323    6.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2464    6.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8184    6.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0984    6.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8184    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0984    7.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3889    7.7271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6796    7.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6796    6.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3889    6.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3889    5.2697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8752    7.7800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1291    7.6924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9603    6.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2509    6.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5417    6.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8325    6.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1232    6.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4139    6.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7062    6.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5417    5.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7062    5.3114    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
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2  8  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
  5 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 22 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120053

> <COMMON_NAME>
Xanthoangelol

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H28O4

> <MASS>
392.20

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LRSMBOSQWGHYCW-MDGZPELGSA-N

> <INCHI>
InChI=1S/C25H28O4/c1-17(2)5-4-6-18(3)7-13-21-24(28)16-14-22(25(21)29)23(27)15-10-19-8-11-20(26)12-9-19/h5,7-12,14-16,26,28-29H,4,6,13H2,1-3H3/b15-10+,18-7+

> <SMILES>
C1=CC(O)=CC=C1/C=C/C(=O)C1C(O)=C(C/C=C(\C)/CC/C=C(\C)/C)C(O)=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
643007

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$