LMPK12120472
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
    9.5742    8.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5742    7.6058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4386    7.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3032    7.6058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3032    8.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4386    9.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1672    7.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0294    7.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8899    7.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7484    7.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5886    7.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4288    7.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4288    8.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5886    9.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7484    8.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1672    6.1113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4386    6.1089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7100    9.1030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7100    7.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8458    7.6058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8458    8.6366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9532    9.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.6366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.6058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9532    7.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9532    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4293   10.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5374   10.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5374   11.7664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6948   12.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8522   11.7664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8522   10.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6948   10.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3792   12.2523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1672    9.1030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0314    8.6041    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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  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
  3 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
 29 34  1  0  0  0  0
 27  6  1  0  0  0  0
  5 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120472

> <COMMON_NAME>
Diuvaretin

> <SYSTEMATIC_NAME>
1-[2,4-Dihydroxy-3,5-bis[(2-hydroxyphenyl)methyl]-6-methoxyphenyl]-3-phenyl-1-propanone

> <FORMULA>
C30H28O6

> <MASS>
484.19

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KDEMELRYKGOXDL-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C30H28O6/c1-36-30-23(18-21-12-6-8-14-25(21)32)28(34)22(17-20-11-5-7-13-24(20)31)29(35)27(30)26(33)16-15-19-9-3-2-4-10-19/h2-14,31-32,34-35H,15-18H2,1H3

> <SMILES>
C1(O)C(CC2C=CC=CC=2O)=C(OC)C(C(=O)CCC2C=CC=CC=2)=C(O)C=1CC1C(O)=CC=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
65802

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
3085222

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 174970

> <CITATION>
-

$$$$