COMPOUND: C12298
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Entry
C12298 Compound
Name
Citronellyl acetate;
3,7-Dimethyl-6-octen-1-yl acetate
Formula
C12H22O2
Exact mass
198.162
Mol weight
198.3019
Structure
Mol file
KCF file
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Brite
Lipids [BR:
br08002
]
PR Prenol lipids
PR01 Isoprenoids
PR0102 C10 isoprenoids (monoterpenes)
PR010201 Acyclic monoterpenoids
C12298 Citronellyl acetate
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Other DBs
CAS:
150-84-5
PubChem:
582689
ChEBI:
70478
LIPIDMAPS:
LMPR0102010015
KNApSAcK:
C00035564
3DMET:
B05624
NIKKAJI:
J2.964E
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KCF data
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ATOM 14
1 C1a C 22.3110 -19.2709
2 C2c C 23.5227 -18.5663
3 C2b C 24.7275 -19.2638
4 C1b C 25.9393 -18.5592
5 C1b C 27.1512 -19.2567
6 C1c C 28.3629 -18.5523
7 C1b C 29.5747 -19.2498
8 C1b C 30.7866 -18.5452
9 O7a O 31.9983 -19.2427
10 C7a C 33.2031 -18.5381
11 C1a C 23.5197 -17.1642
12 C1a C 28.3598 -17.1502
13 O6a O 33.2014 -17.1362
14 C1a C 34.4191 -19.2412
BOND 13
1 3 4 1
2 7 8 1
3 8 9 1
4 4 5 1
5 9 10 1
6 2 3 2
7 2 11 1
8 5 6 1
9 6 12 1
10 1 2 1
11 10 13 2
12 6 7 1
13 10 14 1
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