COMPOUND: C21682
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Entry
C21682 Compound
Name
(3R)-3-Hydroxy-2,3-dihydrotabersonine
Formula
C21H26N2O3
Exact mass
354.1943
Mol weight
354.4427
Structure
Mol file
KCF file
DB search
Reaction
R11802
Pathway
map00901
Indole alkaloid biosynthesis
Enzyme
1.1.99.41
Other DBs
PubChem:
350078259
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KCF data
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ATOM 26
1 C1z C 18.7127 -15.3620
2 C1y C 19.8300 -14.6638
3 C1y C 18.7127 -16.6888
4 C8y C 16.3386 -15.3620
5 C1x C 17.7352 -14.2449
6 C1z C 21.0170 -15.3620
7 N1y N 19.8300 -13.4069
8 C1z C 19.8998 -17.3871
9 N1x N 17.5258 -17.3871
10 C8y C 16.3386 -16.6888
11 C8x C 15.1515 -14.6638
12 C1x C 18.4333 -13.1276
13 C1x C 21.0170 -16.6888
14 C2x C 22.2041 -14.6638
15 C1b C 22.2041 -15.9906
16 C1x C 21.0170 -12.5690
17 C8x C 15.1515 -17.3871
18 C8x C 14.0343 -15.3620
19 C2x C 22.2041 -13.2672
20 C1a C 23.3214 -15.3620
21 C8x C 14.0343 -16.6888
22 O1a O 21.3491 -18.0156
23 C7a C 19.8998 -18.7871
24 O6a O 18.6846 -19.4887
25 O7a O 21.0858 -19.4714
26 C1a C 21.0858 -20.8714
BOND 30
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 2
10 4 11 1
11 5 12 1
12 6 13 1
13 6 14 1
14 6 15 1 #Down
15 7 16 1
16 10 17 1
17 11 18 2
18 14 19 2
19 15 20 1
20 17 21 2
21 7 12 1
22 8 13 1
23 9 10 1
24 16 19 1
25 18 21 1
26 8 22 1 #Up
27 8 23 1
28 23 24 2
29 23 25 1
30 25 26 1
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