COMPOUND: C20244
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Entry
C20244 Compound
Name
(+)-beta-Pinene;
(1R,5R)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]hept-2-ene
Formula
C10H16
Exact mass
136.1252
Mol weight
136.23
Structure
Mol file
KCF file
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Reaction
R09975
Enzyme
4.2.3.122
Other DBs
CAS:
19902-08-0
PubChem:
163311987
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KCF data
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ATOM 10
1 C1x C 9.1700 -15.3300
2 C1x C 9.1700 -16.7300
3 C1y C 10.3824 -17.4300
4 C1z C 11.5949 -16.7300
5 C1y C 11.5949 -15.3300
6 C2y C 10.3824 -14.6300
7 C1x C 10.3824 -16.0300
8 C2a C 10.3824 -13.2302
9 C1a C 12.8260 -17.4410
10 C1a C 12.8261 -16.0191
BOND 11
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 1 #Up
8 3 7 1 #Up
9 6 8 2
10 4 9 1
11 4 10 1
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