KEGG   COMPOUND: C12135
Entry
C12135                      Compound                               

Name
2'-Hydroxybiochanin A;
Dehydroferreirin
Formula
C16H12O6
Exact mass
300.0634
Mol weight
300.2629
Structure
Reaction
Pathway
map00943  Isoflavonoid biosynthesis
Enzyme
1.3.1.45        1.14.14.90
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1205 Isoflavonoids
    C12135  2'-Hydroxybiochanin A
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Isoflavones
    C12135  2'-Hydroxybiochanin A
Other DBs
PubChem: 14282
ChEBI: 31064
ChEMBL: CHEMBL403228
KNApSAcK: C00009457
3DMET: B04429
NIKKAJI: J1.007.246H
KCF data

ATOM        22
            1   C8y C    26.4828  -16.5839
            2   C8y C    26.4887  -15.1798
            3   C8y C    27.6948  -17.2831
            4   C8y C    25.2767  -17.2773
            5   O2x O    27.7064  -14.4806
            6   C8x C    25.2767  -14.4747
            7   C8y C    28.9009  -16.5898
            8   O5x O    27.6889  -18.6872
            9   C8x C    24.0590  -16.5839
            10  C8x C    28.9066  -15.1914
            11  C8y C    24.0590  -15.1798
            12  C8y C    30.1127  -17.2947
            13  O1a O    22.8471  -14.4747
            14  C8y C    30.1010  -18.6931
            15  C8x C    31.3245  -16.6015
            16  C8x C    31.3130  -19.4040
            17  C8x C    32.5365  -17.3007
            18  C8y C    32.5306  -18.7048
            19  O2a O    33.7426  -19.4156
            20  O1a O    28.8887  -19.3810
            21  O1a O    25.2796  -18.6713
            22  C1a C    34.9546  -18.7269
BOND        24
            1     1   4 1
            2     2   5 1
            3     2   6 1
            4     3   7 1
            5     3   8 2
            6     4   9 2
            7     5  10 1
            8     6  11 2
            9     7  12 1
            10   11  13 1
            11   12  14 2
            12   12  15 1
            13   14  16 1
            14   15  17 2
            15   16  18 2
            16   18  19 1
            17    7  10 2
            18    9  11 1
            19   17  18 1
            20   14  20 1
            21    1   2 2
            22    4  21 1
            23    1   3 1
            24   19  22 1

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