COMPOUND: C20922
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Entry
C20922 Compound
Name
Cembrene C;
(1E,5E,9E)-1,5,9-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-1,5,9-triene
Formula
C20H32
Exact mass
272.2504
Mol weight
272.4681
Structure
Mol file
KCF file
DB search
Reaction
R10896
Enzyme
4.2.3.148
Brite
Lipids [BR:
br08002
]
PR Prenol lipids
PR01 Isoprenoids
PR0104 C20 isoprenoids (diterpenes)
PR010419 Cembrane diterpenoids
C20922 Cembrene C
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Other DBs
PubChem:
254741385
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KCF data
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ATOM 20
1 C2x C 16.8086 -13.8549
2 C2y C 16.8086 -15.2614
3 C1x C 19.2701 -15.2614
4 C2y C 19.2701 -13.8549
5 C1x C 18.0042 -13.1516
6 C1x C 15.6131 -15.9647
7 C1x C 15.6131 -17.3713
8 C2x C 16.8086 -18.0745
9 C2x C 19.2701 -18.0745
10 C2y C 20.4657 -17.3713
11 C1x C 20.4657 -15.9647
12 C2y C 16.8086 -19.4811
13 C1x C 18.0042 -20.1844
14 C1x C 19.2701 -19.4811
15 C1a C 15.6131 -20.1844
16 C1a C 21.6612 -18.0745
17 C1a C 18.0042 -15.9647
18 C2c C 20.4657 -13.1516
19 C1a C 20.4657 -11.7450
20 C1a C 21.6650 -13.8378
BOND 20
1 1 2 2
2 3 4 1
3 4 5 1
4 1 5 1
5 2 6 1
6 6 7 1
7 7 8 1
8 9 10 2
9 10 11 1
10 3 11 1
11 8 12 2
12 12 13 1
13 13 14 1
14 14 9 1
15 12 15 1
16 10 16 1
17 2 17 1
18 4 18 2
19 18 19 1
20 18 20 1
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