COMPOUND: C12200
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Entry
C12200 Compound
Name
(+/-)-6-Acetonyldihydrochelerythrine;
6-Acetonyl-5,6-dihydrochelerythrine
Formula
C24H23NO5
Exact mass
405.1576
Mol weight
405.4431
Structure
Mol file
KCF file
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Other DBs
PubChem:
14346
ChEBI:
31021
NIKKAJI:
J2.781.439E
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KCF data
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ATOM 30
1 C8y C 26.3287 -19.5151
2 C8y C 26.3347 -18.1061
3 C1y C 27.5448 -20.2223
4 C8y C 25.1186 -20.2164
5 C8y C 27.5565 -17.4105
6 C8x C 25.1186 -17.4046
7 N1y N 28.7665 -19.5208
8 C8y C 23.8970 -19.5151
9 O2a O 25.1129 -21.6194
10 C8y C 28.7665 -18.1178
11 C8x C 27.5681 -16.0133
12 C8x C 23.8970 -18.1061
13 C1a C 29.9766 -20.2281
14 O2a O 22.6869 -20.2164
15 C1a C 23.8911 -22.3092
16 C8y C 30.0524 -17.4280
17 C8x C 28.7899 -15.3177
18 C1a C 21.4768 -19.5151
19 C8y C 30.0000 -16.0309
20 C8x C 31.1808 -18.1354
21 C8x C 31.2159 -15.3411
22 C8y C 32.3909 -17.4573
23 C8y C 32.4083 -16.0601
24 O2x O 33.7120 -17.9015
25 O2x O 33.7413 -15.6509
26 C1x C 34.5479 -16.7850
27 C1b C 27.5409 -21.6209
28 C5a C 28.7431 -22.3209
29 C1a C 28.7487 -23.7195
30 O5a O 29.9515 -21.6167
BOND 34
1 2 5 1
2 2 6 1
3 3 7 1
4 4 8 2
5 4 9 1
6 5 10 2
7 5 11 1
8 6 12 2
9 7 13 1
10 8 14 1
11 9 15 1
12 10 16 1
13 11 17 2
14 14 18 1
15 16 19 2
16 16 20 1
17 19 21 1
18 20 22 2
19 21 23 2
20 22 24 1
21 23 25 1
22 24 26 1
23 7 10 1
24 8 12 1
25 17 19 1
26 22 23 1
27 25 26 1
28 3 27 1
29 1 2 2
30 1 3 1
31 28 29 1
32 1 4 1
33 28 30 2
34 27 28 1
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