KEGG   COMPOUND: C02652
Entry
C02652                      Compound                               
Name
5-Dehydroshikimate
Formula
C7H8O5
Exact mass
172.0372
Mol weight
172.1354
Structure
Comment
3-Dehydroshikimate [CPD:C02637] was formerly called "5-Dehydroshikimate" on old nomenclature system of numbering.
Other DBs
PubChem: 5626
NIKKAJI: J1.159.727K
LinkDB
KCF data

ATOM        12
            1   C2y C    18.4100  -13.7127
            2   C1x C    19.6275  -14.4112
            3   C2x C    17.1990  -14.4112
            4   C6a C    18.4037  -12.3223
            5   C5x C    19.6275  -15.8208
            6   C1y C    17.1990  -15.8208
            7   O6a O    19.6082  -11.6238
            8   O6a O    17.1925  -11.6301
            9   C1y C    18.4100  -16.5322
            10  O5x O    20.8385  -16.5128
            11  O1a O    16.1278  -16.4428
            12  O1a O    18.4037  -17.9290
BOND        12
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 1 #Down
            11    9  12 1 #Down
            12    6   9 1

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