KEGG   COMPOUND: C22672
Entry
C22672                      Compound                               
Name
Aucubigenin
Formula
C9H12O4
Exact mass
184.0736
Mol weight
184.1892
Structure
Brite
Dietary phytochemicals [br08012.html]
 Other phytochemicals
  C22672
Other DBs
CAS: 64274-28-8
LinkDB
KCF data

ATOM        13
            1   O1a O    14.2485  -16.9192
            2   C1b C    10.5196  -15.9584
            3   C2y C    11.7171  -15.2660
            4   O1a O     9.3221  -15.2660
            5   C1y C    13.0364  -14.8403
            6   C1y C    14.2456  -15.5350
            7   C1y C    13.0422  -13.4451
            8   O2x O    15.4421  -14.8403
            9   C1y C    11.7112  -13.0065
            10  C2x C    14.2456  -12.7505
            11  C2x C    10.8880  -14.1455
            12  C2x C    15.4421  -13.4509
            13  O1a O    11.2797  -11.6814
BOND        14
            1     2   3 1
            2     2   4 1
            3     5   6 1
            4     5   7 1
            5     5   3 1
            6     6   8 1
            7     7   9 1
            8     7  10 1
            9     3  11 2
            10    8  12 1
            11    9  13 1 #Up
            12    9  11 1
            13   10  12 2
            14    6   1 1 #Up

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