LMPK12080067
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    9.1249   -4.3410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1249   -5.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9391   -5.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7533   -5.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7533   -4.3410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9391   -3.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5675   -5.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3817   -5.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3817   -4.3410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5675   -3.8709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1958   -5.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1958   -6.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0663   -7.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9368   -6.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9368   -5.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0663   -5.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3107   -3.8709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7510   -7.2263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3817   -7.2263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0663   -8.1989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3817   -8.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9323   -8.6989    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
 14 18  1  0  0  0  0
 13 20  1  0  0  0  0
 12 19  1  0  0  0  0
 19 21  1  0     0  0
 20 22  1  0     0  0
M  END
> <LM_ID>
LMPK12080067

> <COMMON_NAME>
Haginin A

> <SYSTEMATIC_NAME>
7,4'-Dihydroxy-2',3'-dimethoxyisoflavene

> <FORMULA>
C17H16O5

> <MASS>
300.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JGINXZCTOGQYKS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H16O5/c1-20-16-13(5-6-14(19)17(16)21-2)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-8,18-19H,9H2,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185662

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
338286

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 701533

> <CITATION>
-

$$$$