COMPOUND: C09634
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Entry
C09634 Compound
Name
Rugosinone;
1,3-Dioxolo[4,5-g]isoquinolin-5-yl(2-hydroxy-3,4-dimethoxyphenyl)methanone
Formula
C19H15NO6
Exact mass
353.0899
Mol weight
353.32
Structure
Mol file
KCF file
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Other DBs
CAS:
73609-04-8
PubChem:
11824
ChEBI:
8912
KNApSAcK:
C00001913
C00024767
NIKKAJI:
J11.917B
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KCF data
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ATOM 26
1 C8y C 26.6887 -18.1190
2 C8y C 27.9009 -18.8241
3 C8y C 26.6946 -16.7204
4 C8x C 25.4824 -18.8183
5 C5a C 27.9650 -20.2110
6 N5x N 29.1129 -18.1307
7 C8x C 25.4824 -16.0152
8 C8x C 27.9126 -16.0212
9 C8y C 24.2704 -18.1190
10 C8y C 29.0955 -20.9161
11 O5a O 26.6771 -20.9103
12 C8x C 29.1187 -16.7321
13 C8y C 24.2704 -16.7145
14 O2x O 22.9301 -18.5501
15 C8y C 30.3133 -20.2168
16 C8x C 29.0896 -22.3206
17 O2x O 22.9359 -16.2833
18 C1x C 22.1085 -17.4081
19 C8y C 31.5255 -20.9277
20 O1a O 30.3016 -18.8124
21 C8x C 30.3016 -23.0199
22 C8y C 31.5196 -22.3322
23 O2a O 32.7318 -20.2168
24 O2a O 32.7258 -23.0199
25 C1a C 33.9438 -20.9161
26 C1a C 33.9380 -22.3322
BOND 29
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 5 11 2
11 6 12 1
12 7 13 2
13 9 14 1
14 10 15 1
15 10 16 2
16 13 17 1
17 14 18 1
18 15 19 2
19 15 20 1
20 16 21 1
21 19 22 1
22 19 23 1
23 22 24 1
24 23 25 1
25 24 26 1
26 8 12 2
27 9 13 1
28 17 18 1
29 21 22 2
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