KEGG   COMPOUND: C09505Help
Entry
C09505                      Compound                               

Name
Broussin;
7-Hydroxy-4'-methoxyflavan
Formula
C16H16O3
Exact mass
256.1099
Mol weight
256.2964
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1202 Flavans, Flavanols and Leucoanthocyanidins
    C09505  Broussin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavans
    C09505  Broussin
BRITE hierarchy
Other DBs
CAS: 76045-50-6
PubChem: 11696
ChEBI: 3185
ChEMBL: CHEMBL253563
KNApSAcK: C00000943
3DMET: B03029
NIKKAJI: J2.770.069A
KCF data Show

ATOM        19
            1   C1y C    26.4256  -20.5008
            2   O2x O    25.2140  -19.7960
            3   C1x C    26.4899  -21.8989
            4   C8y C    23.9965  -20.4891
            5   C1x C    25.2024  -22.5980
            6   C8y C    23.9906  -21.8873
            7   C8x C    22.7847  -19.7903
            8   C8x C    22.7847  -22.5922
            9   C8y C    21.5731  -20.4891
            10  C8x C    21.5731  -21.8873
            11  O1a O    20.3615  -19.7903
            12  C8y C    27.6352  -19.8083
            13  C8x C    28.8490  -20.5125
            14  C8x C    27.6431  -18.4096
            15  C8x C    30.0665  -19.8193
            16  C8x C    28.8607  -17.7105
            17  C8y C    30.0723  -18.4212
            18  O2a O    31.2781  -17.7222
            19  C1a C    32.4899  -18.4271
BOND        21
            1     7   9 2
            2     8  10 2
            3     9  11 1
            4     5   6 1
            5     9  10 1
            6     1  12 1 #Down
            7     1   2 1
            8     1   3 1
            9     2   4 1
            10    3   5 1
            11    4   6 2
            12    4   7 1
            13    6   8 1
            14   12  13 2
            15   12  14 1
            16   13  15 1
            17   14  16 2
            18   15  17 2
            19   17  18 1
            20   18  19 1
            21   16  17 1

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