LMPK12080025
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.5631   10.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5631    9.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3937    9.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2243    9.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2243   10.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3937   11.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0548    9.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8854    9.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8854   10.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0548   11.3074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7160    9.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7161    8.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4862    8.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2565    8.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2565    9.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4862    9.8340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327   11.3074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8854    8.9099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8857    8.0203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8857    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0869    8.0203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0869    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
  1  2  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 17  1  0  0  0  0
  8 18  1  6  0  0  0
 12 19  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12080025

> <COMMON_NAME>
(-)-Sativan

> <SYSTEMATIC_NAME>
(R)-3,4-Dihydro-3beta-(2,4-dimethoxyphenyl)-2H-1-benzopyran-7-ol

> <FORMULA>
C17H18O4

> <MASS>
286.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
TUXCLJQCYVCGDW-LBPRGKRZSA-N

> <INCHI>
InChI=1S/C17H18O4/c1-19-14-5-6-15(17(9-14)20-2)12-7-11-3-4-13(18)8-16(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3/t12-/m0/s1

> <SMILES>
C1(O)=CC2OC[C@@]([H])(C3=CC=C(OC)C=C3OC)CC=2C=C1

> <KEGG_ID>
C10526

> <HMDB_ID>
-

> <CHEBI_ID>
115

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
170570

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 47247

> <CITATION>
-

$$$$