COMPOUND: C12256
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Entry
C12256 Compound
Name
(+)-2,7-Dideoxypancratistatin
Formula
C14H15NO6
Exact mass
293.0899
Mol weight
293.272
Structure
Mol file
KCF file
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Other DBs
PubChem:
14401
ChEBI:
31017
NIKKAJI:
J1.705.230F
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KCF data
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ATOM 21
1 C1y C 25.1176 -18.8160
2 C8y C 23.9892 -19.5292
3 C1y C 26.4445 -19.5001
4 C1y C 25.1525 -17.3546
5 C8y C 24.0126 -20.9089
6 C8x C 22.7791 -18.8687
7 C1y C 27.6663 -18.7635
8 N1x N 26.4911 -20.8738
9 C1x C 26.3801 -16.6297
10 O1a O 23.9424 -16.6823
11 C8x C 22.8316 -21.6280
12 C5x C 25.2285 -21.5812
13 C8y C 21.5866 -19.5760
14 C1y C 27.6370 -17.3196
15 O1a O 28.9231 -19.4473
16 C8y C 21.5515 -20.9499
17 O5x O 25.1702 -23.0134
18 O2x O 20.2712 -19.1844
19 O1a O 28.8647 -16.5712
20 O2x O 20.3238 -21.4117
21 C1x C 19.4878 -20.3184
BOND 24
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 4 10 1 #Up
10 5 11 1
11 5 12 1
12 6 13 2
13 7 14 1
14 7 15 1 #Up
15 11 16 2
16 12 17 2
17 13 18 1
18 14 19 1 #Up
19 16 20 1
20 18 21 1
21 8 12 1
22 9 14 1
23 13 16 1
24 20 21 1
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