KEGG   COMPOUND: C11420
Entry
C11420                      Compound                               
Name
(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate
Formula
C10H18O3
Exact mass
186.1256
Mol weight
186.2481
Structure
Reaction
R06393
Pathway
map00903  Limonene degradation
Enzyme
3.1.1.83
Other DBs
PubChem: 13594
ChEBI: 242
3DMET: B05529
NIKKAJI: J2.774.368D
LinkDB
KCF data

ATOM        13
            1   C6a C    28.0472  -16.4777
            2   O6a O    29.2343  -15.7871
            3   C1b C    25.3203  -17.1613
            4   C1c C    26.5145  -16.4777
            5   C1a C    26.5145  -15.1035
            6   C1b C    25.3203  -18.5355
            7   C1c C    26.5145  -19.2260
            8   O1a O    28.8960  -19.2260
            9   C1b C    27.7018  -18.5355
            10  O6a O    28.8733  -17.7198
            11  C2c C    26.5145  -20.6002
            12  C1a C    25.3203  -21.2838
            13  C2a C    27.7216  -21.3000
BOND        12
            1     4   1 1
            2     9   8 1
            3     4   5 1
            4     1   2 2
            5     3   6 1
            6     3   4 1
            7     1  10 1
            8     7  11 1 #Up
            9     6   7 1
            10   11  12 1
            11    7   9 1
            12   11  13 2

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