COMPOUND: C08478
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Entry
C08478 Compound
Name
Dianthramine;
2,2'-Iminobis(4-hydroxybenzoic acid)
Formula
C14H11NO6
Exact mass
289.0586
Mol weight
289.2402
Structure
Mol file
KCF file
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Other DBs
CAS:
136945-65-8
PubChem:
10671
ChEBI:
4492
KNApSAcK:
C00001537
NIKKAJI:
J2.766.051G
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KCF data
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ATOM 21
1 C8y C 28.6418 -18.8473
2 C8y C 28.6594 -17.4587
3 N1b N 27.4283 -19.5358
4 C8x C 29.8438 -19.5707
5 C8x C 29.8787 -16.7702
6 C6a C 27.4574 -16.7526
7 C8y C 27.4107 -20.9302
8 C8y C 31.0690 -18.8822
9 C8x C 31.0864 -17.4820
10 O6a O 26.2379 -17.4353
11 O6a O 27.4750 -15.3523
12 C8y C 26.1855 -21.6187
13 C8x C 28.6127 -21.6362
14 O1a O 32.2709 -19.6174
15 C8x C 26.1738 -23.0191
16 C6a C 24.9894 -20.9127
17 C8y C 28.6010 -23.0424
18 C8x C 27.3816 -23.7367
19 O6a O 23.7699 -21.5954
20 O6a O 25.0068 -19.5125
21 O1a O 29.8029 -23.7774
BOND 22
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 6 10 1
10 6 11 2
11 7 12 1
12 7 13 2
13 8 14 1
14 12 15 2
15 12 16 1
16 13 17 1
17 15 18 1
18 16 19 1
19 16 20 2
20 17 21 1
21 8 9 2
22 17 18 2
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