Marvin  12010700102D          

 21 23  0  0  1  0            999 V2000
    0.7145    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1434    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 15  1  6  0  0  0
  3  5  2  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  4  2  0  0  0  0
  3  7  1  0  0  0  0
  7 11  1  0  0  0  0
  8  6  2  0  0  0  0
  4  8  1  0  0  0  0
  8 12  1  0  0  0  0
  6  9  1  0  0  0  0
  9 13  2  0  0  0  0
 10  2  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  1  0  0  0
 17 15  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <ID>
CHEBI:15401

> <NAME>
(+)-dihydrokaempferol

> <DEFINITION>
A tetrahydroxyflavanone having hydroxy groupa at the 3-, 4'-, 5- and 7-positions.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:10761; CHEBI:4567; CHEBI:14152; CHEBI:23748

> <SYNONYM>
Dihydrokaempferol; Aromadendrin; (2R,3R)-dihydrokaempferol; (+)-Dihydrokaempferol; (+)-Aromadendrin; (+)-aromadendrin

> <IUPAC_NAME>
(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one

> <FORMULA>
C15H12O6

> <MASS>
288.25218

> <MONOISOTOPIC_MASS>
288.06339

> <CHARGE>
0

> <SMILES>
O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)cc1

> <INCHI>
InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1

> <INCHIKEY>
PADQINQHPQKXNL-LSDHHAIUSA-N

> <CAS_REGISTRY_NUMBER>
480-20-6

> <CHEMIDPLUS>
480-20-6

> <KEGG_COMPOUND_ACCESSION>
C00974

> <KNAPSACK_ACCESSION>
C00007234

$$$$