COMPOUND: C12198
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Entry
C12198 Compound
Name
6-(2-Hydroxyethyl)-5,6-dihydrosanguinarine
Formula
C22H19NO5
Exact mass
377.1263
Mol weight
377.39
Structure
Mol file
KCF file
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Other DBs
PubChem:
14344
ChEBI:
31139
NIKKAJI:
J2.781.425E
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KCF data
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ATOM 28
1 C8y C 26.8669 -17.4423
2 C8y C 25.6569 -18.1388
3 C8y C 28.0839 -18.1650
4 C8x C 26.8905 -16.0493
5 C8y C 25.7007 -19.5342
6 C8x C 24.4422 -17.4186
7 C8y C 29.3640 -17.4803
8 N1y N 28.0721 -19.5698
9 C8x C 28.1100 -15.3647
10 C1y C 26.8478 -20.2568
11 C8x C 23.2203 -18.1270
12 C8y C 29.3175 -16.0778
13 C8x C 30.4872 -18.1911
14 C1a C 29.2891 -20.2689
15 C8x C 30.5254 -15.4027
16 C8y C 31.7044 -17.4969
17 C8y C 31.7280 -16.1016
18 O2x O 33.0189 -17.9535
19 O2x O 33.0571 -15.7023
20 C1x C 33.8604 -16.8386
21 C8y C 24.4168 -20.2485
22 C8y C 23.2084 -19.5318
23 O2x O 22.1533 -20.4596
24 C1x C 22.7098 -21.7495
25 O2x O 24.1085 -21.6191
26 C1b C 26.9006 -21.6554
27 C1b C 28.0358 -22.3484
28 O1a O 28.0986 -23.7471
BOND 33
1 3 8 1
2 4 9 2
3 5 21 1
4 5 10 1
5 6 11 2
6 7 12 2
7 7 13 1
8 8 14 1
9 12 15 1
10 13 16 2
11 15 17 2
12 16 18 1
13 17 19 1
14 18 20 1
15 8 10 1
16 9 12 1
17 11 22 1
18 16 17 1
19 19 20 1
20 1 2 1
21 1 3 2
22 1 4 1
23 2 5 2
24 21 22 2
25 22 23 1
26 23 24 1
27 24 25 1
28 25 21 1
29 10 26 1
30 2 6 1
31 26 27 1
32 3 7 1
33 27 28 1
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