COMPOUND: C12226
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Entry
C12226 Compound
Name
Norchelerythrine;
1,2-Dimethoxy-(1,3)benzodioxolo(5,6-c)phenanthridine
Formula
C20H15NO4
Exact mass
333.1001
Mol weight
333.3374
Structure
Mol file
KCF file
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Other DBs
CAS:
6900-99-8
PubChem:
14371
ChEBI:
31917
KNApSAcK:
C00024655
NIKKAJI:
J116.962I
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KCF data
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ATOM 25
1 C8x C 27.5229 -16.7451
2 C8x C 28.7376 -16.0455
3 C8y C 29.9452 -16.7451
4 C8y C 29.9392 -18.1444
5 C8x C 31.1480 -18.8491
6 C8x C 31.1601 -16.0508
7 C8y C 32.3688 -16.7555
8 C8y C 32.3661 -18.1590
9 O2x O 33.7001 -18.5952
10 C1x C 34.5269 -17.4612
11 O2x O 33.7043 -16.3243
12 C8y C 28.7376 -18.8440
13 C8y C 27.5229 -18.1444
14 C8x C 27.5258 -20.9479
15 N5x N 28.7391 -20.2458
16 C8y C 26.3112 -20.2483
17 C8y C 26.3122 -18.8492
18 C8x C 25.1011 -18.1489
19 C8x C 23.8891 -18.8476
20 C8y C 23.8881 -20.2464
21 C8y C 25.0991 -20.9469
22 O2a O 22.6758 -20.9452
23 O2a O 25.0980 -22.3462
24 C1a C 21.4644 -20.2446
25 C1a C 23.8857 -23.0448
BOND 29
1 11 7 1
2 3 4 2
3 4 5 1
4 5 8 2
5 7 6 2
6 13 17 1
7 16 14 1
8 14 15 2
9 15 12 1
10 6 3 1
11 2 1 2
12 1 13 1
13 12 4 1
14 3 2 1
15 16 17 2
16 17 18 1
17 18 19 2
18 19 20 1
19 20 21 2
20 21 16 1
21 7 8 1
22 20 22 1
23 8 9 1
24 21 23 1
25 9 10 1
26 22 24 1
27 10 11 1
28 23 25 1
29 13 12 2
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