COMPOUND: C10867
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Entry
C10867 Compound
Name
Strobamine;
Cyclohepta(6)pyran-5,8-imin-4(5H)-one, 2,3,6,7,8,9-hexahydro-10-methyl-2-phenyl-,(2alpha,5beta,8beta)-(+)-
Formula
C17H19NO2
Exact mass
269.1416
Mol weight
269.3383
Structure
Mol file
KCF file
DB search
Brite
Phytochemical compounds [BR:
br08003
]
Alkaloids
Alkaloids derived from ornithine
Tropane alkaloids
C10867 Strobamine
BRITE hierarchy
Other DBs
CAS:
75656-91-6
PubChem:
13050
ChEBI:
9291
KNApSAcK:
C00002303
3DMET:
B05513
NIKKAJI:
J2.781.927C
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All DBs
KCF data
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ATOM 20
1 C1x C 23.9484 -19.8420
2 C1y C 22.9985 -18.2965
3 C1y C 22.7952 -19.1560
4 N1y N 22.2234 -17.5184
5 C1x C 22.0668 -18.7999
6 C1x C 21.6123 -19.7215
7 C1a C 22.2206 -16.3032
8 C2y C 24.1535 -18.2965
9 C2y C 24.9818 -19.4971
10 O2x O 26.5016 -19.5563
11 C1y C 27.1856 -18.1263
12 C1x C 26.3572 -16.8548
13 C5x C 24.8445 -16.8728
14 O5x O 24.0803 -15.6172
15 C8y C 28.6964 -18.1110
16 C8x C 29.4632 -19.4168
17 C8x C 30.9740 -19.4017
18 C8x C 31.7162 -18.0863
19 C8x C 30.9477 -16.7789
20 C8x C 29.4369 -16.7942
BOND 23
1 2 5 1
2 3 6 1
3 8 9 2
4 9 10 1
5 10 11 1
6 11 12 1
7 12 13 1
8 13 8 1
9 3 4 1
10 13 14 2
11 5 6 1
12 11 15 1 #Up
13 4 7 1
14 9 1 1
15 8 2 1
16 1 3 1
17 2 4 1
18 15 16 2
19 16 17 1
20 17 18 2
21 18 19 1
22 19 20 2
23 20 15 1
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