LMPK12080015
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
    7.5675   11.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5675   10.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4023    9.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2372   10.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2372   11.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4023   11.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0721    9.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9071   10.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9071   11.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0721   11.7004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7420    9.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7420    8.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6345    8.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5271    8.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5271    9.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6345   10.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   11.7003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4188    8.2266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6345    7.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5271    6.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4188    7.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9009    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3829    7.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9071    8.2596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9071    7.0213    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; 3885

> <CITATION>
-

$$$$