COMPOUND: C23146
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Entry
C23146 Compound
Name
10-Carboxychrysanthemal;
(1R,3R)-10-Carboxychrysanthemal
Formula
C10H14O3
Exact mass
182.0943
Mol weight
182.22
Structure
Mol file
KCF file
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Reaction
R13660
R13661
R13662
Pathway
map00592
alpha-Linolenic acid metabolism
Enzyme
1.1.1.- 1.2.1.-
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KCF data
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ATOM 13
1 C1y C 20.5247 -16.5454
2 C1y C 19.1284 -16.5454
3 C1z C 19.8265 -15.3586
4 C4a C 21.7114 -15.8473
5 C2b C 17.9416 -15.8473
6 C1a C 19.1284 -14.1020
7 C1a C 20.5247 -14.1020
8 O4a O 22.9680 -16.5454
9 C2c C 16.6850 -16.5454
10 C6a C 15.4983 -15.8473
11 C1a C 16.6850 -17.9416
12 O6a O 14.3115 -16.5454
13 O6a O 15.4983 -14.4511
BOND 13
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1 #Up
5 3 6 1
6 3 7 1
7 4 8 2
8 5 9 2
9 9 10 1
10 9 11 1
11 2 3 1
12 10 12 1
13 10 13 2
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