COMPOUND: C12193
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Entry
C12193 Compound
Name
Vittatine;
(3beta,5alpha,13beta,19alpha)-1,2-Didehydro-crinan-3-ol
Formula
C16H17NO3
Exact mass
271.1208
Mol weight
271.3111
Structure
Mol file
KCF file
DB search
Reaction
R11760
R11761
Pathway
map00950
Isoquinoline alkaloid biosynthesis
Other DBs
CAS:
510-69-0
PubChem:
14339
ChEBI:
68310
KNApSAcK:
C00024446
NIKKAJI:
J14.000G
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KCF data
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ATOM 20
1 C8x C 26.7063 -21.9141
2 C8x C 26.7063 -19.1939
3 C8y C 27.8752 -19.8776
4 C8y C 27.8692 -21.2375
5 C1x C 29.0466 -21.9192
6 N1y N 30.2296 -21.2479
7 C8y C 25.5230 -21.2375
8 C8y C 25.5273 -19.8747
9 O2x O 24.2270 -19.4456
10 C1x C 23.4231 -20.5463
11 O2x O 24.2202 -21.6516
12 C1z C 29.0584 -19.1992
13 C1y C 30.2296 -19.8907
14 C1x C 31.4124 -19.2188
15 C1y C 31.4239 -17.8623
16 C2x C 30.2525 -17.1709
17 C2x C 29.0699 -17.8425
18 O1a O 32.6027 -17.1888
19 C1x C 30.2307 -18.5103
20 C1x C 31.4004 -20.5541
BOND 24
1 7 8 1
2 8 9 1
3 9 10 1
4 10 11 1
5 11 7 1
6 3 4 2
7 4 5 1
8 5 6 1
9 6 13 1
10 12 3 1
11 2 8 2
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 2
17 17 12 1
18 7 1 2
19 15 18 1 #Up
20 1 4 1
21 12 19 1 #Down
22 3 2 1
23 6 20 1 #Down
24 19 20 1
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