KEGG   COMPOUND: C10419
Entry
C10419                      Compound                               
Name
Ferreirin;
2,3-Dihydro-5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
Formula
C16H14O6
Exact mass
302.079
Mol weight
302.2788
Structure
Reaction
R06563
Enzyme
1.3.1.45
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1205 Isoflavonoids
    C10419  Ferreirin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Isoflavanones
    C10419  Ferreirin
Other DBs
CAS: 32898-79-6
PubChem: 12605
ChEBI: 5018
LIPIDMAPS: LMPK12050501
KNApSAcK: C00002524
3DMET: B05438
NIKKAJI: J509.007E
LinkDB
KCF data

ATOM        22
            1   C1y C    25.3582  -16.9158
            2   C8y C    26.5679  -17.6286
            3   C5x C    24.1545  -17.6169
            4   C1x C    25.3642  -15.5191
            5   C8y C    26.6262  -19.0254
            6   C8x C    27.7776  -16.9274
            7   C8y C    22.9448  -16.9099
            8   O5x O    24.1486  -18.8795
            9   O2x O    24.1662  -14.8237
            10  C8x C    27.7601  -19.7207
            11  O1a O    25.3408  -19.7090
            12  C8x C    28.9815  -17.6403
            13  C8y C    22.9506  -15.5074
            14  C8y C    21.7469  -17.6169
            15  C8y C    28.9756  -19.0371
            16  C8x C    21.7469  -14.8178
            17  C8x C    20.5255  -16.9099
            18  O1a O    21.7469  -19.0078
            19  O2a O    30.1910  -19.7324
            20  C8y C    20.5255  -15.5074
            21  C1a C    31.3949  -19.0428
            22  O1a O    19.3158  -14.8178
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 2
            13    7  14 1
            14   10  15 2
            15   13  16 1
            16   14  17 2
            17   14  18 1
            18   15  19 1
            19   16  20 2
            20   19  21 1
            21   20  22 1
            22    9  13 1
            23   12  15 1
            24   17  20 1

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