COMPOUND: C10286
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Entry
C10286 Compound
Name
Doronine;
4,8-Secosenecionan-8,11,16-trione, 15,20-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-
Formula
C21H30ClNO8
Exact mass
459.166
Mol weight
459.9178
Structure
Mol file
KCF file
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Brite
Phytochemical compounds [BR:
br08003
]
Alkaloids
Alkaloids derived from ornithine
Pyrrolizidine alkaloids
C10286 Doronine
BRITE hierarchy
Other DBs
CAS:
60367-00-2
PubChem:
12472
ChEBI:
4701
KNApSAcK:
C00002084
NIKKAJI:
J2.772.993B
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All DBs
KCF data
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ATOM 31
1 C1z C 28.2754 -15.7893
2 C1y C 27.0997 -16.4737
3 C7x C 29.4628 -16.4795
4 O7a O 28.6380 -14.4616
5 C1a C 27.5852 -14.6019
6 C1x C 25.9123 -15.7835
7 C1a C 27.0938 -17.8424
8 O7x O 29.4568 -17.8542
9 O6a O 30.6501 -15.7835
10 C7a C 29.8312 -13.7714
11 C1z C 24.7190 -16.4737
12 C1x C 28.2637 -18.5267
13 C1a C 29.8312 -12.3910
14 O6a O 31.0245 -14.4616
15 C7x C 24.7190 -17.8424
16 C1c C 23.5433 -15.7835
17 O1a O 23.4442 -17.3680
18 C2y C 28.2637 -19.8954
19 O7x O 25.9123 -18.5209
20 O6a O 23.5433 -18.5267
21 C1a C 22.3502 -16.4737
22 X Cl 23.5316 -14.3972
23 C5x C 27.0821 -20.5622
24 C2x C 29.2989 -21.0711
25 C1y C 25.9123 -19.8779
26 O5x O 27.0646 -19.1877
27 C1x C 28.3454 -22.2644
28 C1x C 24.7950 -21.0711
29 N1y N 27.0997 -21.6268
30 C1x C 25.8245 -22.2644
31 C1a C 27.0880 -23.0072
BOND 32
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 1 5 1 #Down
5 2 6 1
6 2 7 1 #Down
7 3 8 1
8 3 9 2
9 4 10 1
10 6 11 1
11 8 12 1
12 10 13 1
13 10 14 2
14 11 15 1
15 11 16 1
16 11 17 1 #Down
17 12 18 1
18 15 19 1
19 15 20 2
20 16 21 1
21 16 22 1 #Up
22 18 23 1
23 18 24 2
24 25 19 1 #Up
25 23 26 2
26 24 27 1
27 25 28 1
28 27 29 1
29 28 30 1
30 29 31 1
31 23 25 1
32 29 30 1
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