COMPOUND: C06447
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Entry
C06447 Compound
Name
2-N,6-N-Bis(2,3-dihydroxybenzoyl)-L-lysine amide
Formula
C20H23N3O7
Exact mass
417.1536
Mol weight
417.4125
Structure
Mol file
KCF file
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Other DBs
PubChem:
8680
ChEBI:
138827
NIKKAJI:
J2.767.408I
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KCF data
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ATOM 30
1 C8y C 13.5846 -16.5246
2 C8x C 13.5846 -17.9249
3 C8x C 14.7749 -18.6251
4 C8x C 16.0352 -17.9249
5 C8y C 16.0352 -16.5246
6 C8y C 14.7749 -15.8244
7 O1a O 14.7749 -14.4241
8 O1a O 12.3944 -15.8244
9 C5a C 17.2955 -15.8244
10 N1b N 18.4858 -16.5246
11 C1c C 19.6761 -15.8244
12 C1b C 20.9364 -16.5246
13 C1b C 22.1267 -15.8244
14 C1b C 23.3169 -16.5246
15 C1b C 24.5772 -15.8244
16 N1b N 25.7675 -16.5246
17 C5a C 26.9578 -15.8244
18 C8y C 28.2181 -16.5246
19 O5a O 17.2955 -14.4941
20 C5a C 19.6761 -14.4241
21 N1a N 20.9364 -13.7239
22 O5a O 18.4858 -13.7239
23 O5a O 26.9578 -14.4241
24 C8x C 28.2181 -17.9249
25 C8x C 29.4084 -18.6251
26 C8x C 30.5987 -17.9249
27 C8y C 30.5987 -16.5246
28 C8y C 29.4084 -15.8244
29 O1a O 29.4084 -14.4241
30 O1a O 31.8590 -15.8244
BOND 31
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 6 7 1
8 1 8 1
9 5 9 1
10 9 10 1
11 11 10 1 #Down
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 9 19 2
20 11 20 1
21 20 21 1
22 20 22 2
23 17 23 2
24 18 24 2
25 24 25 1
26 25 26 2
27 26 27 1
28 27 28 2
29 18 28 1
30 28 29 1
31 27 30 1
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