COMPOUND: C08474
Help
Entry
C08474 Compound
Name
Coronarian;
alpha-D-Glucopyranose, 2,6-bis(3-nitropropanoate)
Formula
C12H18N2O12
Exact mass
382.086
Mol weight
382.2775
Structure
Mol file
KCF file
DB search
Other DBs
CAS:
63505-68-0
PubChem:
10667
ChEBI:
3886
KNApSAcK:
C00001532
NIKKAJI:
J18.032G
LinkDB
All DBs
KCF data
Show
ATOM 26
1 C1y C 29.8257 -20.2532
2 C1y C 28.6124 -20.9589
3 C1y C 29.8257 -18.8534
4 O7a O 31.0271 -20.9532
5 C1y C 27.3934 -20.2532
6 O1a O 28.6007 -22.3647
7 O2x O 28.6124 -18.1535
8 O1a O 31.0271 -18.1477
9 C7a C 32.2402 -20.2475
10 C1y C 27.3934 -18.8534
11 O1a O 26.1803 -20.9532
12 C1b C 33.4535 -20.9474
13 O6a O 32.3045 -18.8476
14 C1b C 26.1860 -18.1535
15 C1b C 34.6666 -20.2416
16 O7a O 24.9729 -18.8476
17 N2b N 35.8740 -20.9357 #+
18 C7a C 23.7656 -18.1477
19 O3a O 35.8623 -22.3413
20 O3a O 37.0813 -20.2358 #-
21 C1b C 22.5525 -18.8360
22 O6a O 23.8239 -16.7420
23 C1b C 21.3392 -18.1418
24 N2b N 20.1261 -18.8301 #+
25 O3a O 20.1902 -20.2358
26 O3a O 18.9071 -18.1361 #-
BOND 26
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 3 8 1 #Down
8 4 9 1
9 5 10 1
10 5 11 1 #Down
11 9 12 1
12 9 13 2
13 10 14 1 #Up
14 12 15 1
15 14 16 1
16 15 17 1
17 16 18 1
18 17 19 2
19 17 20 1
20 18 21 1
21 18 22 2
22 21 23 1
23 23 24 1
24 24 25 2
25 24 26 1
26 7 10 1
» Japanese version
DBGET
integrated database retrieval system