COMPOUND: C12326
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Entry
C12326 Compound
Name
(R,S)-Scoulerine;
Scoulerine
Formula
C19H21NO4
Exact mass
327.1471
Mol weight
327.3743
Structure
Mol file
KCF file
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Other DBs
CAS:
6451-72-5
PubChem:
582716
ChEBI:
31033
NIKKAJI:
J263.140G
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KCF data
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ATOM 24
1 C1y C 28.0821 -20.2648
2 C8y C 26.8670 -20.9599
3 N1y N 29.3031 -20.9482
4 C1x C 28.0704 -18.8686
5 C8y C 26.8728 -22.3620
6 C8x C 25.6635 -20.2588
7 C1x C 30.5064 -20.2414
8 C1x C 29.3088 -22.3562
9 C8y C 29.2797 -18.1559
10 C1x C 28.0938 -23.0630
11 C8x C 25.6635 -23.0690
12 C8y C 24.4425 -20.9599
13 C8y C 30.4947 -18.8452
14 C8x C 29.2680 -16.7596
15 C8y C 24.4425 -22.3620
16 O1a O 23.2332 -20.2588
17 C8y C 31.6983 -18.1325
18 C8x C 30.4656 -16.0585
19 O2a O 23.2332 -23.0690
20 C8y C 31.6807 -16.7362
21 O1a O 32.9133 -18.8219
22 C1a C 22.0123 -22.3679
23 O2a O 32.8842 -16.0294
24 C1a C 34.1109 -16.7128
BOND 27
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 2
11 6 12 1
12 7 13 1
13 9 14 1
14 11 15 1
15 12 16 1
16 13 17 1
17 14 18 2
18 15 19 1
19 17 20 2
20 17 21 1
21 19 22 1
22 20 23 1
23 23 24 1
24 8 10 1
25 9 13 2
26 12 15 2
27 18 20 1
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