KEGG   COMPOUND: C20364
Entry
C20364                      Compound                               
Name
Erythorbic acid;
Isoascorbic acid
Formula
C6H8O6
Exact mass
176.0321
Mol weight
176.1241
Structure
Other DBs
CAS: 89-65-6
PubChem: 163312102
PDB-CCD: ISD[PDBj]
LinkDB
KCF data

ATOM        12
            1   C7x C    20.3000  -20.0200
            2   C2y C    19.8800  -21.4200
            3   C2y C    18.4800  -21.4200
            4   C1y C    18.0600  -20.0900
            5   O7x O    19.1800  -19.2500
            6   O1a O    20.7900  -22.4700
            7   O1a O    17.7100  -22.6100
            8   C1c C    16.8700  -19.3900
            9   C1b C    15.6800  -20.0900
            10  O1a O    14.4900  -19.3900
            11  O1a O    16.8700  -17.9900
            12  O6a O    21.4900  -19.3200
BOND        12
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     2   6 1
            7     3   7 1
            8     8   9 1
            9     8   4 1
            10    9  10 1
            11    8  11 1 #Up
            12   12   1 2

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