LMPK12080009
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.2353    8.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2361    7.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8932    7.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5496    7.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5488    8.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917    8.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2067    7.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8630    7.6408    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8622    8.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2051    8.7775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5438    7.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5448    6.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2473    6.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9491    6.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9482    7.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2455    7.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.7885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2483    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6282    7.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2346    8.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3091    7.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0203    8.3245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9892    7.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6296    6.8322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6520    6.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6467    5.4306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5752    5.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  1  0  0  0  0
 26 27  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  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
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  2  0  0  0  0
 14 24  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12080009

> <COMMON_NAME>
Unanisoflavan

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H26O5

> <MASS>
370.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VNLILVLACYXYJO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H26O5/c1-6-22(2,3)17-11-16(20(25-4)19(24)21(17)26-5)14-9-13-7-8-15(23)10-18(13)27-12-14/h6-8,10-11,14,23-24H,1,9,12H2,2-5H3

> <SMILES>
C1(O)C=CC2CC(C3=CC(C(C)(C=C)C)=C(OC)C(O)=C3OC)COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186260

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15838234

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$