COMPOUND: C12225
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Entry
C12225 Compound
Name
6-Oxochelerythrine;
Oxychelerythrine;
1,2-Dimethoxy-12-methyl-(1,3)benzodioxolo(5,6-c)phenanthridin-13(12H)-one
Formula
C21H17NO5
Exact mass
363.1107
Mol weight
363.3634
Structure
Mol file
KCF file
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Other DBs
CAS:
28342-33-8
PubChem:
14370
ChEBI:
31141
KNApSAcK:
C00044274
NIKKAJI:
J663.276I
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KCF data
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ATOM 27
1 C8x C 27.5239 -16.7461
2 C8x C 28.7387 -16.0465
3 C8y C 29.9463 -16.7461
4 C8y C 29.9404 -18.1454
5 C8x C 31.1492 -18.8501
6 C8x C 31.1613 -16.0517
7 C8y C 32.3701 -16.7564
8 C8y C 32.3674 -18.1600
9 O2x O 33.7013 -18.5962
10 C1x C 34.5282 -17.4622
11 O2x O 33.7056 -16.3253
12 C8y C 28.7387 -18.8450
13 C8y C 27.5239 -18.1454
14 C8y C 27.5268 -20.9491
15 N4y N 28.7402 -20.2469
16 C8y C 26.3123 -20.2494
17 C8y C 26.3133 -18.8503
18 C8x C 25.1021 -18.1500
19 C8x C 23.8900 -18.8486
20 C8y C 23.8890 -20.2475
21 C8y C 25.1000 -20.9480
22 O2a O 22.6766 -20.9463
23 O2a O 25.0990 -22.3473
24 O5x O 27.5284 -22.3483
25 C1a C 29.9528 -20.9452
26 C1a C 21.4653 -20.2457
27 C1a C 23.8866 -23.0460
BOND 31
1 4 5 1
2 5 8 2
3 7 6 2
4 12 13 2
5 13 17 1
6 16 14 1
7 14 15 1
8 15 12 1
9 6 3 1
10 2 1 2
11 1 13 1
12 12 4 1
13 3 2 1
14 16 17 2
15 17 18 1
16 18 19 2
17 19 20 1
18 20 21 2
19 21 16 1
20 7 8 1
21 20 22 1
22 8 9 1
23 21 23 1
24 9 10 1
25 14 24 2
26 10 11 1
27 15 25 1
28 11 7 1
29 22 26 1
30 3 4 2
31 23 27 1
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