LMPK12140609
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.6604    8.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6632    7.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5423    7.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4149    7.5779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4148    8.5896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5376    9.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2955    7.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1670    7.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1649    8.5936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2908    9.0955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0409    9.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9149    8.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7909    9.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7907   10.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9146   10.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0386   10.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2955    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7844    9.0913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6611   11.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6611   10.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5376   10.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7849   12.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5371   12.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5423    6.2133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9022    7.1376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.6234    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; 3837

> <CITATION>
-

$$$$