LMPK12050487
  LIPID_MAPS_STRUCTURE_DATABASE

 28 30  0     0  0            999 V2000
    7.1367   11.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1367   10.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9621   10.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7875   10.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7875   11.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9621   11.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6129   10.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4383   10.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4383   11.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6129   11.9354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2802   10.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2802    9.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1628    8.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0452    9.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0452   10.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1628   10.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6129    9.0570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8873    8.5145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1628    7.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9621    9.0569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1905    7.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6767    6.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0047    7.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0047    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946   11.9449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1628   11.5014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4286   11.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0288   12.0014    0.0000 C   0  0  0  0  0  0  0  0  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  1  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
 14 18  1  0  0  0  0
 13 19  1  0  0  0  0
  3 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  2  0  0  0  0
  1 25  1  0  0  0  0
 16 26  1  0  0  0  0
 25 27  1  0     0  0
 26 28  1  0     0  0
M  END
> <LM_ID>
LMPK12050487

> <COMMON_NAME>
Echinoisosophoranone

> <SYSTEMATIC_NAME>
5,4'-Dihydroxy-7,2'-dimethoxy-5'-(1''',1'''-dimethylallyl)isoflavanone

> <FORMULA>
C22H24O6

> <MASS>
384.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IVDADZLYWFNWFZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H24O6/c1-6-22(2,3)15-9-13(18(27-5)10-16(15)23)14-11-28-19-8-12(26-4)7-17(24)20(19)21(14)25/h6-10,14,23-24H,1,11H2,2-5H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186145

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14482998

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 228658

> <CITATION>
-

$$$$