LMPK12080068
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.5520   -4.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5564   -5.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3832   -5.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2055   -5.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2013   -4.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3745   -4.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0323   -5.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8548   -5.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8503   -4.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0236   -4.0028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6816   -5.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6862   -6.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5702   -7.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4496   -6.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4446   -5.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5606   -5.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7252   -4.0176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5746   -8.3747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7339   -5.9220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8225   -7.4216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -6.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3179   -7.4055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3226   -8.4055    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  2  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
  1 17  1  0  0  0  0
 13 18  1  0  0  0  0
  2 19  1  0  0  0  0
 12 20  1  0     0  0
 20 21  1  0     0  0
 14 22  1  0     0  0
 22 23  1  0     0  0
M  END
> <LM_ID>
LMPK12080068

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
6,7,3'-Trihydroxy-2',4'-dimethoxyisoflavene

> <FORMULA>
C17H16O6

> <MASS>
316.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SSQZVXWYVVNXKO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H16O6/c1-21-14-4-3-11(17(22-2)16(14)20)10-5-9-6-12(18)13(19)7-15(9)23-8-10/h3-7,18-20H,8H2,1-2H3

> <SMILES>
C1(O)C(O)=CC2C=C(C3=CC=C(OC)C(O)=C3OC)COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257527

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 162666

> <CITATION>
-

$$$$