14827427
  CDK     1202211636

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.1172   -0.2227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0929    1.8685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6653    2.2810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -0.1940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1078    2.3095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2842   -2.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7163   -1.4597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219    1.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    1.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    1.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8648    0.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508    1.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3798    1.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8648    1.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3798    0.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6653    1.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1172    1.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508    0.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3950    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2200    2.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5777   -0.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6653   -0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5744   -1.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2937    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2873   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0066   -0.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0034   -1.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0 
  1 15  1  0  0  0  0 
  2  9  1  0  0  0  0 
  3 16  1  0  0  0  0 
  4 18  1  0  0  0  0 
  5 17  2  0  0  0  0 
  6 25  1  0  0  0  0 
  7 27  1  0  0  0  0 
  8  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 19  1  0  0  0  0 
  9 20  1  0  0  0  0 
 10 12  1  0  0  0  0 
 11 14  1  0  0  0  0 
 11 21  1  0  0  0  0 
 12 16  2  0  0  0  0 
 12 18  1  0  0  0  0 
 13 15  2  0  0  0  0 
 13 16  1  0  0  0  0 
 13 17  1  0  0  0  0 
 14 17  1  0  0  0  0 
 15 22  1  0  0  0  0 
 18 22  2  0  0  0  0 
 21 23  2  0  0  0  0 
 21 24  1  0  0  0  0 
 23 25  1  0  0  0  0 
 24 26  2  0  0  0  0 
 25 27  2  0  0  0  0 
 26 27  1  0  0  0  0 
M  END
> <ID>
CHEBI:184907

> <NAME>
6-C-(3-Hydroxyisopentyl)eriodictyol

> <STAR>
2

> <IUPAC_NAME>
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one

> <FORMULA>
C20H22O7

> <MASS>
374.389

> <MONOISOTOPIC_MASS>
374.13655

> <CHARGE>
0

> <SMILES>
O1C(CC(=O)C2=C1C=C(O)C(CCC(O)(C)C)=C2O)C3=CC(O)=C(O)C=C3

> <INCHI>
InChI=1S/C20H22O7/c1-20(2,26)6-5-11-13(22)8-17-18(19(11)25)15(24)9-16(27-17)10-3-4-12(21)14(23)7-10/h3-4,7-8,16,21-23,25-26H,5-6,9H2,1-2H3

> <INCHIKEY>
AUWAYTAMBAVTLA-UHFFFAOYSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12140404

$$$$