KEGG   COMPOUND: C16189Help
Entry
C16189                      Compound                               

Name
9-Demethylmunduserone
Formula
C18H16O6
Exact mass
328.0947
Mol weight
328.316
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00943  Isoflavonoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Other DBs
PubChem: 47205497
ChEBI: 80370
NIKKAJI: J2.798.751F
KCF data Show

ATOM        24
            1   C8y C    28.3500  -32.5500
            2   C8x C    28.3500  -33.9500
            3   C8x C    29.6100  -34.6500
            4   C8y C    30.8000  -33.9500
            5   C8y C    30.8000  -32.5500
            6   C8x C    29.6100  -31.8500
            7   C5x C    31.9900  -34.6500
            8   C1y C    33.2500  -33.9500
            9   C1y C    33.2500  -32.5500
            10  O2x O    31.9900  -31.8500
            11  C8y C    34.4400  -34.6500
            12  C8x C    34.4400  -36.0500
            13  C8y C    35.6300  -36.7500
            14  C8y C    36.8200  -36.0500
            15  C8x C    36.8200  -34.6500
            16  C8y C    35.6300  -33.9500
            17  O2a O    35.6300  -38.1500
            18  C1a C    36.8900  -38.9200
            19  O2a O    38.0800  -36.7500
            20  C1a C    39.2700  -36.0500
            21  O2x O    35.6300  -32.5500
            22  C1x C    34.4400  -31.8500
            23  O5x O    31.9900  -36.0500
            24  O1a O    27.1600  -31.8500
BOND        27
            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 1
            11    5  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19   13  17 1
            20   17  18 1
            21   14  19 1
            22   19  20 1
            23   16  21 1
            24   21  22 1
            25    7  23 2
            26    1  24 1
            27    9  22 1

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