LMPK12080015
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.2432    9.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2432    8.4598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9319    8.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6207    8.4598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6207    9.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9319    9.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3095    8.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9984    8.4598    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9984    9.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3095    9.6529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6872    8.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6872    7.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4235    6.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1599    7.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1599    8.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4235    8.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    9.6528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8956    6.7870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4235    5.9363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1599    5.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8956    5.9363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2933    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6910    5.9363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9984    6.8142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9984    5.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  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
  1 17  1  0  0  0  0
 14 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 18  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12080015

> <COMMON_NAME>
2'-O-Methylphaseollinisoflavan

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H22O4

> <MASS>
338.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CSEWDTXNCZLZIW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H22O4/c1-21(2)9-8-17-18(25-21)7-6-16(20(17)23-3)14-10-13-4-5-15(22)11-19(13)24-12-14/h4-9,11,14,22H,10,12H2,1-3H3

> <SMILES>
C1(O)C=CC2CC(C3C=CC4OC(C)(C)C=CC=4C=3OC)COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257509

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$