KEGG   COMPOUND: C18083
Entry
C18083                      Compound                               
Name
Demethylsuberosin;
7-Demethylsuberosin
Formula
C14H14O3
Exact mass
230.0943
Mol weight
230.2592
Structure
Reaction
R08996 R08997
Pathway
map00999  Biosynthesis of various plant secondary metabolites
map01061  Biosynthesis of phenylpropanoids
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.14.66      2.5.1.139
Other DBs
CAS: 21422-04-8
PubChem: 96024300
ChEBI: 69042
KNApSAcK: C00030108
NIKKAJI: J294.473A
LinkDB
KCF data

ATOM        17
            1   C8y C    31.5000  -24.9200
            2   C8y C    31.5000  -26.2500
            3   C8x C    32.6900  -26.9500
            4   C8y C    33.9500  -26.2500
            5   C8y C    33.9500  -24.9200
            6   C8x C    32.6900  -24.2200
            7   O7x O    35.1400  -26.9500
            8   C8y C    36.3300  -26.2500
            9   C8x C    36.3300  -24.9200
            10  C8x C    35.1400  -24.2200
            11  O6a O    37.5900  -26.9500
            12  O1a O    30.2847  -26.9451
            13  C1b C    30.2876  -24.2200
            14  C2b C    29.0751  -24.9200
            15  C2c C    27.8627  -24.2200
            16  C1a C    26.6503  -24.9200
            17  C1a C    27.8627  -22.8200
BOND        18
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    8  11 2
            13    2  12 1
            14    1  13 1
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   15  17 1

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