COMPOUND: C05204
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Entry
C05204 Compound
Name
(S)-Tetrahydroprotoberberine;
(S)-7,8,13,14-Tetrahydroprotoberberine
Formula
C17H17N
Exact mass
235.1361
Mol weight
235.3236
Structure
Mol file
KCF file
DB search
Reaction
R04716
Enzyme
2.1.1.122
Brite
Phytochemical compounds [BR:
br08003
]
Alkaloids
Alkaloids derived from tyrosine
Isoquinoline alkaloids
C05204 (S)-Tetrahydroprotoberberine
BRITE hierarchy
Other DBs
CAS:
131-10-2
PubChem:
7609
ChEBI:
50400
NIKKAJI:
J356.631E
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KCF data
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ATOM 18
1 C1y C 28.8637 -20.9411
2 C8y C 27.6524 -21.6398
3 N1y N 30.0806 -21.6282
4 C1x C 28.8521 -19.5435
5 C8y C 27.6641 -23.0432
6 C8x C 26.4413 -20.9351
7 C1x C 31.2860 -20.9120
8 C1x C 30.0923 -23.0258
9 C8y C 30.0575 -18.8330
10 C8x C 26.4413 -23.7536
11 C1x C 28.8811 -23.7362
12 C8x C 25.2242 -21.6339
13 C8y C 31.2687 -19.5144
14 C8x C 30.0399 -17.4471
15 C8x C 25.2242 -23.0491
16 C8x C 32.3924 -18.8097
17 C8x C 31.2337 -16.7366
18 C8x C 32.4449 -17.4121
BOND 21
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 2
10 5 11 1
11 6 12 1
12 7 13 1
13 9 14 1
14 10 15 1
15 13 16 1
16 14 17 2
17 16 18 2
18 8 11 1
19 9 13 2
20 12 15 2
21 17 18 1
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