LMPK12080030
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0  0  0  0  0  0  0  0999 V2000
    5.6699    8.5787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6699    7.8051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3399    7.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0098    7.8051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0098    8.5787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3399    8.9656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6797    7.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3497    7.8051    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3497    8.5787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6797    8.9656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0197    7.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0197    6.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7360    6.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4522    6.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4522    7.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7360    7.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3497    6.2044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.9656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   10.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1222    6.2044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1222    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  1  0  0  0  0
 20 21  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  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  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
  1  2  1  0  0  0  0
 12 17  1  0  0  0  0
  1 18  1  0  0  0  0
 14 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12080030

> <COMMON_NAME>
Isosativan

> <SYSTEMATIC_NAME>
2'-Hydroxy-7,4'-dimethoxyisoflavan

> <FORMULA>
C17H18O4

> <MASS>
286.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FWAWTPASGRNXTO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H18O4/c1-19-13-5-6-15(16(18)8-13)12-7-11-3-4-14(20-2)9-17(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3

> <SMILES>
C1(OC)C=CC2CC(C3C=CC(OC)=CC=3O)COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0034024

> <CHEBI_ID>
174740

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
591624

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$