LMPK12020160
  LIPID_MAPS_STRUCTURE_DATABASE

 28 30  0     0  0            999 V2000
    7.1241    9.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1241    8.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9536    7.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7828    8.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7828    9.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9536    9.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6124    7.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4416    8.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4416    9.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6124    9.6175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2711    9.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1237    9.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9759    9.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9759   10.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1237   11.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2711   10.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4416   10.0964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0913    6.8727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1336    6.8727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9536   10.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7831   11.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7831   12.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9536   12.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6125   12.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    9.6175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946   11.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9536    6.7444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1377    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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  0  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
  9 17  1  1  0  0  0
  7 18  1  1  0  0  0
  7 19  1  6  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  1 25  1  0  0  0  0
  3 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020160

> <COMMON_NAME>
Tephrowatsin A

> <SYSTEMATIC_NAME>
4-Hydroxy-5,7-dimethoxy-8-prenylflavan

> <FORMULA>
C22H26O4

> <MASS>
354.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ADIMMCHZVYYGPW-MSOLQXFVSA-N

> <INCHI>
InChI=1S/C22H26O4/c1-14(2)10-11-16-19(24-3)13-20(25-4)21-17(23)12-18(26-22(16)21)15-8-6-5-7-9-15/h5-10,13,17-18,23H,11-12H2,1-4H3/t17-,18+/m1/s1

> <SMILES>
C1(OC)C(C/C=C(/C)\C)=C2O[C@]([H])(C3C=CC=CC=3)C[C@@]([H])(O)C2=C(OC)C=1

> <KEGG_ID>
C09970

> <HMDB_ID>
-

> <CHEBI_ID>
9443

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442542

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3091573

> <CITATION>
-

$$$$