COMPOUND: C13759
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Entry
C13759 Compound
Name
FPL64176;
Methyl-2,5-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate
Formula
C22H21NO3
Exact mass
347.1521
Mol weight
347.407
Structure
Mol file
KCF file
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Other DBs
CAS:
120934-96-5
PubChem:
586345
ChEBI:
249982
NIKKAJI:
J445.198H
LinkDB
All DBs
KCF data
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ATOM 26
1 C8x C 25.4612 -23.0769
2 C8x C 25.4612 -21.6740
3 C8y C 26.7238 -20.9726
4 C8y C 27.9161 -21.6740
5 C8x C 27.9161 -23.0769
6 C8x C 26.7238 -23.7783
7 C1b C 29.1085 -20.9726
8 C8y C 30.3711 -21.6740
9 C8x C 31.5635 -20.9726
10 C8x C 32.7559 -21.6740
11 C8x C 32.7559 -23.0769
12 C8x C 31.5635 -23.7783
13 C8x C 30.3711 -23.0769
14 C5a C 26.7238 -19.5698
15 C8y C 25.5449 -18.7378
16 C8y C 24.1633 -18.7908
17 N4x N 23.7446 -17.5179
18 C8y C 24.9088 -16.6633
19 C8y C 26.0028 -17.4744
20 O5a O 27.9161 -18.8684
21 C1a C 24.9258 -15.2817
22 C1a C 23.3229 -19.9485
23 C7a C 27.2372 -16.7642
24 O7a O 28.4521 -17.4656
25 C1a C 29.6670 -16.7642
26 O6a O 27.2383 -15.3616
BOND 28
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 3 14 1
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 1
20 18 19 2
21 15 19 1
22 14 20 2
23 18 21 1
24 16 22 1
25 19 23 1
26 23 24 1
27 24 25 1
28 23 26 2
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