LMPK12140500
  LIPID_MAPS_STRUCTURE_DATABASE

 33 35  0  0  0  0  0  0  0  0999 V2000
    9.4595    8.9578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4830    7.9366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4704    7.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3023    7.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3204    9.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3986    9.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2616    7.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1176    7.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1060    9.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2371    9.5132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0136    9.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8917    9.0594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7955    9.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8215   10.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9172   11.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0020   10.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2616    6.4738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5516    9.4820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7130   11.1283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4704    6.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3986   10.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4199   11.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5908   10.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7862   11.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8970   10.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4199   12.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1114   12.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6959   12.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8917    8.1098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8970    9.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6445    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6702    7.6603    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  5  1  0  0  0  0
  9 11  1  6  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 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
  3 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 22 26  1  1  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 12 29  1  0  0  0  0
 25 30  1  0  0  0  0
 25 31  1  0  0  0  0
 20 32  1  0  0  0  0
 29 33  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140500

> <COMMON_NAME>
(2S)-2'-Methoxykurarinone

> <SYSTEMATIC_NAME>
(2S)-7,4'-Dihydroxy-8-lavandulyl-5,2'-dimethoxyflavanone

> <FORMULA>
C27H32O6

> <MASS>
452.22

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KTAQQSUPNZAWEY-OSPHWJPCSA-N

> <INCHI>
InChI=1S/C27H32O6/c1-15(2)7-8-17(16(3)4)11-20-21(29)13-25(32-6)26-22(30)14-24(33-27(20)26)19-10-9-18(28)12-23(19)31-5/h7,9-10,12-13,17,24,28-29H,3,8,11,14H2,1-2,4-6H3/t17-,24+/m1/s1

> <SMILES>
C1(O)C(C[C@H](C(C)=C)C/C=C(/C)\C)=C2O[C@H](C3C=CC(O)=CC=3OC)CC(=O)C2=C(OC)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
66151

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11982641

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49840

> <CITATION>
10843587

$$$$