KEGG   COMPOUND: C22679
Entry
C22679                      Compound                               
Name
Erythrocentaurin
Formula
C10H8O3
Exact mass
176.0473
Mol weight
176.1687
Structure
Brite
Dietary phytochemicals [br08012.html]
 Other phytochemicals
  C22679
Other DBs
CAS: 50276-98-7
LinkDB
KCF data

ATOM        13
            1   C8y C    19.8746  -14.8105
            2   C8y C    19.8805  -13.4241
            3   C8x C    21.0743  -15.5035
            4   C4a C    18.6752  -15.4976
            5   C8y C    21.0860  -12.7310
            6   C1x C    18.6810  -12.7310
            7   C8x C    22.2808  -14.8162
            8   O4a O    17.4755  -14.8045
            9   C8x C    22.2865  -13.4358
            10  C7x C    21.0860  -11.3447
            11  C1x C    18.6810  -11.3447
            12  O7x O    19.8863  -10.6516
            13  O6a O    22.2924  -10.6516
BOND        14
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 1
            10    6  11 1
            11   10  12 1
            12   10  13 2
            13    7   9 2
            14   11  12 1

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