KEGG   COMPOUND: C08546Help
Entry
C08546                      Compound                               

Name
Tiglyl tiglate;
(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester
Formula
C10H16O2
Exact mass
168.115
Mol weight
168.2328
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 72845-40-0
PubChem: 10739
ChEBI: 9594
LIPIDMAPS: LMFA07011026
KNApSAcK: C00001324
NIKKAJI: J246.163C
KCF data Show

ATOM        12
            1   C7a C    29.2534  -19.2154
            2   O7a O    28.0409  -19.9148
            3   C2c C    30.4660  -19.9148
            4   O6a O    29.2534  -17.8164
            5   C1b C    26.8226  -19.2154
            6   C2b C    31.6843  -19.2154
            7   C1a C    30.4660  -21.3139
            8   C2c C    25.6100  -19.9148
            9   C1a C    32.8908  -19.9148
            10  C2b C    24.3918  -19.2154
            11  C1a C    25.6100  -21.3139
            12  C1a C    23.1851  -19.9148
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 2
            6     3   7 1
            7     5   8 1
            8     6   9 1
            9     8  10 2
            10    8  11 1
            11   10  12 1

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