KEGG   COMPOUND: C19707
Entry
C19707                      Compound                               

Name
(+)-Columbianetin;
(S)-Columbianetin
Formula
C14H14O4
Exact mass
246.0892
Mol weight
246.2586
Structure
Reaction
Pathway
map01061  Biosynthesis of phenylpropanoids
Enzyme
Other DBs
CAS: 3804-70-4
PubChem: 135626175
ChEMBL: CHEMBL201152
KNApSAcK: C00029297
LinkDB
KCF data

ATOM        18
            1   C8x C    18.8267  -14.8489
            2   C8x C    20.0387  -14.1508
            3   C8y C    21.2436  -14.8489
            4   C8y C    21.3075  -16.2450
            5   O7x O    22.4436  -16.9482
            6   C8y C    23.6558  -16.2553
            7   C8x C    23.6617  -14.8592
            8   C8x C    22.4556  -14.1560
            9   O6a O    24.8619  -16.9585
            10  C8y C    20.0387  -16.9431
            11  C8y C    18.8262  -16.2399
            12  O2x O    17.7829  -17.1758
            13  C1y C    18.3507  -18.4572
            14  C1x C    19.7447  -18.3133
            15  C1d C    18.3370  -19.7855
            16  C1a C    17.1209  -20.4712
            17  C1a C    19.5390  -20.4957
            18  O1a O    18.3390  -21.2788
BOND        20
            1     1  11 1
            2     6   9 2
            3    10   4 1
            4     3   2 1
            5     2   1 2
            6     3   4 2
            7    10  11 2
            8    11  12 1
            9    12  13 1
            10   13  14 1
            11   14  10 1
            12    4   5 1
            13    5   6 1
            14   13  15 1
            15    6   7 1
            16   15  16 1
            17    7   8 2
            18   15  17 1
            19    8   3 1
            20   15  18 1

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