LMPK12140609
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    6.3198    7.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3221    6.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0474    5.8344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7673    6.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7672    7.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0435    7.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4938    5.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2128    6.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2110    7.0897    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4899    7.5038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9337    7.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6548    7.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3775    7.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3773    8.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6545    8.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9318    8.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4938    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5971    7.5003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3204    9.5901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3204    8.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0435    8.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5975   10.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0431   10.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0474    5.1260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6943    5.8885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2893    0.0000 C   0  0  0  0  0  0  0  0  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  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
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
  6 21  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
  3 24  1  0  0  0  0
  2 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140609

> <COMMON_NAME>
Agrandol

> <SYSTEMATIC_NAME>
5,7-Dihydroxy-6-methoxy-8-prenylflavanone

> <FORMULA>
C21H22O5

> <MASS>
354.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DPWCTCFTFSFYCZ-INIZCTEOSA-N

> <INCHI>
InChI=1S/C21H22O5/c1-12(2)9-10-14-18(23)21(25-3)19(24)17-15(22)11-16(26-20(14)17)13-7-5-4-6-8-13/h4-9,16,23-24H,10-11H2,1-3H3/t16-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15895373

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$