KEGG   COMPOUND: C11417Help
Entry
C11417                      Compound                               

Name
(3S)-6-Hydroxy-3-isopropenyl-heptanoate;
6-Hydroxy-3-isopropenylheptanoate
Formula
C10H18O3
Exact mass
186.1256
Mol weight
186.2481
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Limonene and pinene degradation
Biosynthesis of secondary metabolites
Enzyme
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        13
            1   C1c C    26.5966  -16.1276
            2   O1a O    27.7861  -15.4497
            3   C1b C    25.4070  -16.8195
            4   C1b C    25.4070  -18.1964
            5   C1c C    26.6064  -18.8673
            6   C1b C    27.7991  -18.1964
            7   C6a C    27.8025  -16.8208
            8   O6a O    28.9937  -16.1177
            9   O6a O    29.2462  -17.5841
            10  C1a C    25.3998  -15.4426
            11  C2c C    26.6083  -20.2513
            12  C1a C    25.4125  -20.9517
            13  C2a C    27.8223  -20.9375
BOND        12
            1     3   4 1
            2     4   5 1
            3     5   6 1
            4     6   7 1
            5     7   8 2
            6     7   9 1
            7     1  10 1
            8     5  11 1 #Up
            9     1   2 1
            10   11  12 1
            11    3   1 1
            12   11  13 2

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