COMPOUND: C11402
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Entry
C11402 Compound
Name
(4R,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone
Formula
C10H16O2
Exact mass
168.115
Mol weight
168.2328
Structure
Mol file
KCF file
DB search
Reaction
R06386
R06390
Pathway
map00903
Limonene and pinene degradation
map01110
Biosynthesis of secondary metabolites
map01220
Degradation of aromatic compounds
Enzyme
1.14.13.105
3.1.1.83
Other DBs
PubChem:
13576
ChEBI:
228
LIPIDMAPS:
LMPR0102090058
3DMET:
B04248
NIKKAJI:
J2.774.301C
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KCF data
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ATOM 12
1 C1x C 22.8485 -17.7402
2 C1y C 23.7034 -16.6415
3 O7x O 25.1074 -16.6845
4 C1x C 23.1917 -19.1035
5 C7x C 26.0072 -17.6822
6 C1y C 24.4683 -19.6917
7 C1x C 25.7122 -19.0513
8 C1a C 23.0763 -15.3894
9 C2c C 24.4976 -21.0925
10 O6a O 27.3670 -17.3455
11 C1a C 23.2980 -21.8146
12 C2a C 25.7191 -21.7640
BOND 12
1 1 2 1
2 5 7 1
3 6 7 1
4 1 4 1
5 2 8 1 #Up
6 6 9 1 #Down
7 3 5 1
8 5 10 2
9 2 3 1
10 9 11 1
11 4 6 1
12 9 12 2
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