COMPOUND: C12302
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Entry
C12302 Compound
Name
gamma-Terpinyl acetate;
Cyclohexanol, 1-methyl-4-(1-methylethylidene)-, 1-acetate;
p-Menth-4-en-1-yl acetate
Formula
C12H20O2
Exact mass
196.1463
Mol weight
196.286
Structure
Mol file
KCF file
DB search
Brite
Lipids [BR:
br08002
]
PR Prenol lipids
PR01 Isoprenoids
PR0102 C10 isoprenoids (monoterpenes)
PR010209 Menthane monoterpenoids
C12302 gamma-Terpinyl acetate
Phytochemical compounds [BR:
br08003
]
Terpenoids
Monoterpenoids (C10)
Cyclic monoterpenes
C12302 gamma-Terpinyl acetate
BRITE hierarchy
Other DBs
CAS:
10235-63-9
PubChem:
582693
ChEBI:
32346
LIPIDMAPS:
LMPR0102090047
3DMET:
B04448
NIKKAJI:
J227.129J
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All DBs
KCF data
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ATOM 14
1 C1x C 23.8318 -15.4653
2 C1x C 23.8318 -16.8668
3 C2y C 25.0494 -17.5640
4 C1x C 26.2528 -16.8668
5 C1x C 26.2528 -15.4653
6 C1z C 25.0494 -14.7610
7 C1a C 23.8247 -14.0638
8 O7a O 26.2474 -14.0569
9 C7a C 26.2364 -12.6554
10 C1a C 27.4455 -11.9418
11 O6a O 25.0234 -11.9608
12 C2c C 25.0361 -18.9653
13 C1a C 23.8178 -19.6625
14 C1a C 26.2403 -19.6696
BOND 14
1 6 7 1
2 1 2 1
3 6 8 1
4 2 3 1
5 8 9 1
6 3 4 1
7 9 10 1
8 4 5 1
9 9 11 2
10 5 6 1
11 3 12 2
12 6 1 1
13 12 13 1
14 12 14 1
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