LMPK12020259
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  0     0  0            999 V2000
    7.1245    9.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1245    8.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9544    7.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7844    8.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7844    9.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9544    9.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6143    7.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4442    8.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4442    9.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6143    9.5510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2742    9.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    9.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9659    9.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9659   10.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201   11.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2742   10.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9544    6.6759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    9.5508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2943   10.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0884    6.1759    0.0000 C   0  0  0  0  0  0  0  0  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
  9 11  1  6  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
  3 17  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0     0  0
 17 20  1  0     0  0
M  END
> <LM_ID>
LMPK12020259

> <COMMON_NAME>
Tephrowatsin E

> <SYSTEMATIC_NAME>
(2S)-2alpha-Phenyl-5,7-dimethoxychroman

> <FORMULA>
C17H18O3

> <MASS>
270.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZNGGVZOKUFXTRL-HNNXBMFYSA-N

> <INCHI>
InChI=1S/C17H18O3/c1-18-13-10-16(19-2)14-8-9-15(20-17(14)11-13)12-6-4-3-5-7-12/h3-7,10-11,15H,8-9H2,1-2H3/t15-/m0/s1

> <SMILES>
C1(OC)=CC2O[C@H](C3C=CC=CC=3)CCC=2C(OC)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
137745

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11288698

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3091573

> <CITATION>
-

$$$$