LMPK12080009
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    8.2659   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2669   -5.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0634   -6.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8590   -5.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8581   -4.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0616   -4.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6555   -6.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4510   -5.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4501   -4.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6536   -4.3048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2762   -6.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2775   -7.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1290   -7.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9797   -7.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9786   -6.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1268   -5.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4406   -4.2914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1302   -8.5836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8028   -5.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3257   -4.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6281   -6.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2781   -4.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4525   -5.6774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4120   -7.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5454   -7.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8463   -7.6378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8474   -8.6378    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  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
 12 24  1  0     0  0
 24 25  1  0     0  0
 14 26  1  0     0  0
 26 27  1  0     0  0
M  END
> <LM_ID>
LMPK12080009

> <COMMON_NAME>
Unanisoflavan

> <SYSTEMATIC_NAME>
3-[5-(1,1-Dimethyl-2-propenyl)-3-hydroxy-2,4-dimethoxyphenyl]-3,4-dihydro-2H-1-benzopyran-7-ol

> <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; 3896

> <CITATION>
-

$$$$