COMPOUND: C16503
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Entry
C16503 Compound
Name
Methyl farnesoate;
Methyl (2E,6E)-farnesoate
Formula
C16H26O2
Exact mass
250.1933
Mol weight
250.38
Structure
Mol file
KCF file
DB search
Reaction
R08147
R08148
Pathway
map00981
Insect hormone biosynthesis
Enzyme
1.14.14.127
2.1.1.325
Other DBs
CAS:
10485-70-8
PubChem:
47205799
ChEBI:
80535
NIKKAJI:
J38.779G
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KCF data
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ATOM 18
1 C2c C 24.8876 -19.9530
2 C2b C 26.0966 -20.6538
3 C1b C 23.6786 -20.6538
4 C1a C 24.8876 -18.5576
5 C1b C 27.3119 -19.9530
6 C1b C 22.4633 -19.9530
7 C1b C 28.5209 -20.6538
8 C2b C 21.2544 -20.6538
9 C2c C 29.7299 -19.9530
10 C2c C 20.0456 -19.9530
11 C2b C 30.9452 -20.6538
12 C1a C 29.7299 -18.5576
13 C1a C 18.8302 -20.6538
14 C1a C 20.0456 -18.5576
15 C7a C 32.1541 -19.9530
16 O6a O 33.3628 -20.6538
17 O7a O 32.1539 -18.5297
18 C1a C 33.3396 -17.8451
BOND 17
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 5 7 1
7 6 8 1
8 7 9 1
9 8 10 2
10 9 11 2
11 9 12 1
12 10 13 1
13 10 14 1
14 11 15 1
15 15 16 2
16 15 17 1
17 17 18 1
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