Marvin  07111316412D          

 20 22  0  0  0  0            999 V2000
   -0.1228   -0.0092    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8295    0.4093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1263   -0.8359    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5463   -0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8397   -1.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5874   -1.2476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5498   -0.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2599    0.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8431   -2.0675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2599   -1.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9769   -0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9769   -0.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6904    0.4127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5942    0.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3043   -0.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5976    1.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0213    0.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3112    1.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0246    1.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7416    1.6271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  6  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  1  0  0  0
  4  8  1  0  0  0  0
  4  7  2  0  0  0  0
  5  9  2  0  0  0  0
  5  7  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 12  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <ID>
CHEBI:27587

> <NAME>
garbanzol

> <DEFINITION>
A member of the class of dihydroflavonols that is (2S)-flavanone substituted by hydroxy groups at positions 3, 7 and 4'.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:5275; CHEBI:24200

> <SYNONYM>
Garbanzol; 3,7,4'-Trihydroxyflavanone

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

> <FORMULA>
C15H12O5

> <MASS>
272.25280

> <MONOISOTOPIC_MASS>
272.06847

> <CHARGE>
0

> <SMILES>
O[C@@H]1[C@H](Oc2cc(O)ccc2C1=O)c1ccc(O)cc1

> <INCHI>
InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,14-17,19H/t14-,15+/m0/s1

> <INCHIKEY>
VRTGGIJPIYOHGT-LSDHHAIUSA-N

> <CAS_REGISTRY_NUMBER>
1226-22-8

> <REAXYS_REGISTRY_NUMBER>
11287140

> <KEGG_COMPOUND_ACCESSION>
C09751

> <KNAPSACK_ACCESSION>
C00000964

> <WIKIPEDIA_ACCESSION>
Garbanzol

> <PUBMED_CITATION>
14698512

$$$$