LMPK12050226
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0     0  0            999 V2000
    7.5696    9.0603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5696    8.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4066    7.6107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2436    8.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2436    9.0603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4066    9.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0806    7.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9175    8.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9175    9.0603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0806    9.5436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7545    7.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7545    6.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6493    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5442    6.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5442    7.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6493    8.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0806    6.6443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    9.5436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4066    6.6443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4066   10.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5696   10.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5696   11.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327   12.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4066   12.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3812    6.0941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6842    6.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  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  5  1  0  0  0  0
  8 11  1  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 16  1  0  0  0  0
 16 11  2  0  0  0  0
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  6 20  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
 22 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050226

> <COMMON_NAME>
Gancanin M

> <SYSTEMATIC_NAME>
5,7,-Dihydroxy-4'-methoxy-8-prenylisoflavone

> <FORMULA>
C21H20O5

> <MASS>
352.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DDLPIQXHEKZHQX-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H20O5/c1-12(2)4-9-15-17(22)10-18(23)19-20(24)16(11-26-21(15)19)13-5-7-14(25-3)8-6-13/h4-8,10-11,22-23H,9H2,1-3H3

> <SMILES>
C1(O)C=C(O)C2C(=O)C(C3=CC=C(OC)C=C3)=COC=2C=1C/C=C(\C)/C

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0038903

> <CHEBI_ID>
175516

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14604078

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 74613

> <CITATION>
-

$$$$