KEGG   COMPOUND: C09692
Entry
C09692                      Compound                               

Name
Isovelleral
Formula
C15H20O2
Exact mass
232.1463
Mol weight
232.3181
Structure
Other DBs
CAS: 37841-91-1
PubChem: 11882
ChEBI: 6070
ChEMBL: CHEMBL518292
KNApSAcK: C00003155
3DMET: B03200
NIKKAJI: J221.364H
KCF data

ATOM        17
            1   C1z C    26.3638  -19.9236
            2   C1z C    27.5761  -20.6207
            3   C1x C    26.3755  -21.3237
            4   C2y C    26.3638  -18.5293
            5   C4a C    25.1560  -20.6207
            6   C1a C    27.9271  -21.9685
            7   C2x C    27.5761  -17.8322
            8   C4a C    25.1560  -17.8322
            9   O4a O    23.9495  -19.9236
            10  O4a O    23.9495  -18.5176
            11  C1y C    28.7711  -18.5293
            12  C1y C    28.7779  -19.9263
            13  C1x C    30.1108  -20.3523
            14  C1z C    30.9223  -19.2171
            15  C1x C    30.0995  -18.0899
            16  C1a C    32.1547  -18.6748
            17  C1a C    32.0068  -20.3439
BOND        19
            1     4   7 2
            2     4   8 1
            3     5   9 2
            4     8  10 2
            5     2   3 1
            6     7  11 1
            7     1   2 1
            8     1   3 1
            9     1   4 1
            10    1   5 1 #Down
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  11 1
            16    2  12 1
            17   14  16 1
            18    2   6 1 #Down
            19   14  17 1

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