KEGG   COMPOUND: C11950Help
Entry
C11950                      Compound                               

Name
3-Isopropyl-3-butenoic acid;
3-Isopropylbut-3-enoic acid
Formula
C7H12O2
Exact mass
128.0837
Mol weight
128.169
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00903  Limonene and pinene degradation
Enzyme
3.1.2.-
Other DBs
CAS: 65860-53-9
PubChem: 14111
3DMET: B04384
NIKKAJI: J1.476.933A
KCF data Show

ATOM        9
            1   O6a O    28.0700  -18.9700
            2   C6a C    26.8800  -18.2700
            3   C1b C    25.6900  -18.9700
            4   C2c C    24.4300  -18.2700
            5   C1c C    23.2400  -18.9700
            6   C1a C    22.0500  -18.2700
            7   O6a O    26.8800  -16.8700
            8   C2a C    24.4300  -16.8700
            9   C1a C    23.2400  -20.3700
BOND        8
            1     4   5 1
            2     2   3 1
            3     5   6 1
            4     1   2 1
            5     2   7 2
            6     3   4 1
            7     4   8 2
            8     5   9 1

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