LMPK12080010
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0            999 V2000
    9.3600   -5.2716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600   -6.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2041   -6.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0484   -6.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0484   -5.2716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2041   -4.7842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8925   -6.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7366   -6.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7366   -5.2716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8925   -4.7842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5809   -6.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5809   -7.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4835   -8.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3859   -7.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3859   -6.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4835   -6.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5159   -4.7842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2301   -8.2632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5159   -6.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6715   -6.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6715   -5.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0283   -7.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0030   -7.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4835   -5.2378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5676   -4.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  1  0     0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  5  1  0     0  0
  8 11  1  1     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 11  1  0     0  0
 17  1  1  0     0  0
 14 18  1  0     0  0
  2 19  1  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 19 22  1  0     0  0
 19 23  1  0     0  0
 16 24  1  0     0  0
M  END
> <LM_ID>
LMPK12080010

> <COMMON_NAME>
Millinol B

> <SYSTEMATIC_NAME>
(3R)-7,4'-Dihydroxy-2'-methoxy-6-(1,1-dimethylallyl)isoflavan

> <FORMULA>
C21H24O4

> <MASS>
340.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DKDWZBOVVLDHPS-AWEZNQCLSA-N

> <INCHI>
InChI=1S/C21H24O4/c1-5-21(2,3)17-9-13-8-14(12-25-19(13)11-18(17)23)16-7-6-15(22)10-20(16)24-4/h5-7,9-11,14,22-23H,1,8,12H2,2-4H3/t14-/m0/s1

> <SMILES>
C1(O)=CC2OC[C@@H](C3C(OC)=CC(O)=CC=3)CC=2C=C1C(C)(C)C=C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179320

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14237676

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53625

> <CITATION>
-

$$$$