KEGG   COMPOUND: C00770Help
Entry
C00770                      Compound                               

Name
L-Idonate
Formula
C6H12O7
Exact mass
196.0583
Mol weight
196.1553
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
1.1.1.215       1.1.1.264       1.1.1.366
Other DBs
CAS: 1114-17-6
PubChem: 4032
ChEBI: 17796 21336
NIKKAJI: J2.730.576H
LinkDB All DBs
KCF data Show

ATOM        13
            1   O1a O    14.3694  -16.5457
            2   C1b C    15.5833  -15.8448
            3   C1c C    16.7972  -16.5457
            4   C1c C    18.0111  -15.8448
            5   C1c C    19.2249  -16.5457
            6   C1c C    20.4388  -15.8448
            7   C6a C    21.6527  -16.5457
            8   O6a O    22.8666  -15.8448
            9   O1a O    16.7972  -17.9472
            10  O1a O    18.0111  -14.4431
            11  O1a O    20.4388  -14.4434
            12  O1a O    19.2249  -17.9473
            13  O6a O    21.6525  -17.9277
BOND        12
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     3   9 1 #Up
            9     4  10 1 #Up
            10    6  11 1 #Up
            11    5  12 1 #Up
            12    7  13 2

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