KEGG   COMPOUND: C12415Help
Entry
C12415                      Compound                               

Name
Methyl nogalonate;
Nogalonic acid methyl ester;
NAME;
Methyl [4,5-dihydroxy-9,10-dioxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetate
Formula
C21H16O8
Exact mass
396.0845
Mol weight
396.3469
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00781  Nogalavinone/aklavinone biosynthesis, deoxynogalonate/deoxyaklanonate => nogalavinone/aklavinone
Enzyme
2.1.1.-         5.5.1.23        5.5.1.26
Other DBs
PubChem: 582805
ChEBI: 31916
3DMET: B04498
NIKKAJI: J2.293.651D
KCF data Show

ATOM        29
            1   C8x C    11.8300  -18.8300
            2   C8x C    11.8300  -20.2300
            3   C8y C    13.0424  -20.9300
            4   C8y C    14.2549  -20.2300
            5   C8y C    14.2549  -18.8300
            6   C8x C    13.0424  -18.1300
            7   C5x C    15.4673  -20.9300
            8   C8y C    16.6797  -20.2300
            9   C8y C    16.6797  -18.8300
            10  C5x C    15.4673  -18.1300
            11  C8y C    17.8922  -20.9300
            12  C8y C    19.1046  -20.2300
            13  C8y C    19.1046  -18.8300
            14  C8x C    17.8922  -18.1300
            15  C5a C    20.3224  -20.9300
            16  C1b C    21.5349  -20.2300
            17  C5a C    22.7473  -20.9300
            18  C1a C    23.9597  -20.2300
            19  C1b C    20.3224  -17.7800
            20  C7a C    21.5349  -18.4800
            21  O7a O    22.7473  -17.7800
            22  C1a C    23.9597  -18.4800
            23  O6a O    21.5950  -19.6099
            24  O5a O    22.7473  -22.3300
            25  O5a O    20.3237  -22.3298
            26  O5x O    15.4673  -22.3300
            27  O5x O    15.4673  -16.7300
            28  O1a O    13.0424  -22.3298
            29  O1a O    17.8922  -22.3297
BOND        31
            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 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    9  14 2
            17   12  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   13  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   20  23 2
            26   17  24 2
            27   15  25 2
            28    7  26 2
            29   10  27 2
            30    3  28 1
            31   11  29 1

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