LMPK12160609
  LIPID_MAPS_STRUCTURE_DATABASE

 21 22  0     0  0            999 V2000
    6.8703   10.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8703    9.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6802    8.9837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4899    9.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4899   10.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6802   10.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2997    8.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1096    9.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2997   10.8536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9193    8.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9193    7.9838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7851    7.4839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6507    7.9838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6507    8.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7851    9.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1096   10.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2997    8.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4605    7.5163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4605    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.8536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  1  0  0  0  0
 20 21  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
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 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 10  2  0  0  0  0
  1  2  1  0  0  0  0
  8 16  1  6  0  0  0
  7 17  2  0  0  0  0
  1 20  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
> <LM_ID>
LMPK12160609

> <COMMON_NAME>
4-O-Methylangolensin

> <SYSTEMATIC_NAME>
[R,(-)]-1-(2-Dihydroxyphenyl-4-O-Methyl)-2-(4-methoxyphenyl)-1-propanone

> <FORMULA>
C17H18O4

> <MASS>
286.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Other Flavonoids [PK1216]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MSNJGHGEOPDPGD-LLVKDONJSA-N

> <INCHI>
InChI=1S/C17H18O4/c1-11(12-4-6-13(20-2)7-5-12)17(19)15-9-8-14(21-3)10-16(15)18/h4-11,18H,1-3H3/t11-/m1/s1

> <SMILES>
C1(OC)C=CC(C(=O)[C@H](C)C2=CC=C(OC)C=C2)=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101668135

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 182271

> <CITATION>
-

$$$$