COMPOUND: C05604
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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
Mol file
KCF file
DB search
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
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KCF data
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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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