COMPOUND: C21682
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Entry
C21682 Compound
Name
(3R)-3-Hydroxy-2,3-dihydrotabersonine
Formula
C21H26N2O3
Exact mass
354.1943
Mol weight
354.44
Structure
Mol file
KCF file
DB search
Reaction
R11802
Pathway
map00901
Indole alkaloid biosynthesis
map01110
Biosynthesis of secondary metabolites
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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