KEGG   COMPOUND: C18133Help
Entry
C18133                      Compound                               

Name
Deoxyshikonin
Formula
C16H16O4
Exact mass
272.1049
Mol weight
272.2958
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00130  Ubiquinone and other terpenoid-quinone biosynthesis
map01110  Biosynthesis of secondary metabolites
Other DBs
PubChem: 96024350
ChEBI: 81530
ChEMBL: CHEMBL486627
NIKKAJI: J19.312G
LinkDB All DBs
KCF data Show

ATOM        20
            1   C8x C    10.0100   -4.4100
            2   C8x C    10.0100   -5.8100
            3   C8y C    11.2224   -6.5100
            4   C8y C    12.4349   -5.8100
            5   C8y C    12.4349   -4.4100
            6   C8y C    11.2224   -3.7100
            7   C5x C    13.6473   -6.5100
            8   C2x C    14.8597   -5.8100
            9   C2y C    14.8597   -4.4100
            10  C5x C    13.6473   -3.7100
            11  O1a O    11.2224   -2.3102
            12  O1a O    11.2224   -7.9098
            13  O5x O    13.6473   -7.9100
            14  O5x O    13.6473   -2.3100
            15  C1b C    16.0573   -3.7185
            16  C1b C    17.2456   -4.4045
            17  C2b C    17.2456   -5.8045
            18  C2c C    18.4580   -6.5045
            19  C1a C    18.4580   -7.9045
            20  C1a C    19.6844   -5.7962
BOND        21
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12    6  11 1
            13    3  12 1
            14    7  13 2
            15   10  14 2
            16    9  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   18  20 1

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