KEGG   COMPOUND: C05604
Entry
C05604                      Compound                               
Name
2-Carboxy-2,3-dihydro-5,6-dihydroxyindole;
Leucodopachrome;
cyclo-Dopa
Formula
C9H9NO4
Exact mass
195.0532
Mol weight
195.1721
Structure
Reaction
R02962 R03672 R04885 R08816 R08821
Pathway
map00350  Tyrosine metabolism
map00965  Betalain biosynthesis
map01100  Metabolic pathways
Enzyme
2.4.1.-         4.1.1.-
Other DBs
CAS: 18766-67-1
PubChem: 7927
ChEBI: 60872
3DMET: B01875
NIKKAJI: J260.088I
LinkDB
KCF data

ATOM        14
            1   C8y C    24.6103  -16.0921
            2   C8y C    24.6746  -17.4961
            3   C1x C    25.9502  -15.6649
            4   C8x C    23.4052  -15.3958
            5   N1x N    25.9385  -17.9351
            6   C8x C    23.4052  -18.1925
            7   C1y C    26.7692  -16.8058
            8   C8y C    22.1882  -16.0921
            9   C8y C    22.1882  -17.4961
            10  C6a C    28.1676  -16.8117
            11  O1a O    20.9771  -15.3958
            12  O1a O    20.9771  -18.1925
            13  O6a O    28.8637  -18.0228
            14  O6a O    28.8754  -15.6006
BOND        15
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     6   9 1
            9     7  10 1 #Up
            10    8  11 1
            11    9  12 1
            12   10  13 1
            13   10  14 2
            14    5   7 1
            15    8   9 2

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