KEGG   COMPOUND: C12421Help
Entry
C12421                      Compound                               

Name
Aklanonate;
Aklanonic acid;
[4,5-Dihydroxy-9,10-dioxo-3-(3-oxopentanoyl)-9,10-dihydroanthracen-2-yl]acetic acid
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
1.13.12.-       2.1.1.288
Other DBs
CAS: 91432-47-2
PubChem: 582811
ChEBI: 31178
KNApSAcK: C00017707
3DMET: B04501
NIKKAJI: J93.397J
KCF data Show

ATOM        29
            1   C8x C    23.0423   -8.0879
            2   C8x C    23.0423   -9.6861
            3   C8y C    24.2457  -10.3809
            4   C8y C    25.4493   -9.6861
            5   C8y C    25.4493   -8.0879
            6   C8x C    24.2457   -7.3931
            7   C5x C    26.6528  -10.3809
            8   C8y C    27.8563   -9.6861
            9   C8y C    27.8563   -8.0879
            10  C5x C    26.6528   -7.3931
            11  C8y C    29.0598  -10.3809
            12  C8y C    30.2633   -9.6861
            13  C8y C    30.2633   -8.0879
            14  C8x C    29.0598   -7.3931
            15  C1b C    31.4721   -7.3931
            16  C6a C    32.6757   -8.0879
            17  O6a O    33.8792   -7.3931
            18  C5a C    31.4721  -10.3809
            19  C1b C    32.6757   -9.6861
            20  C5a C    33.8792  -10.3809
            21  C1b C    35.0826   -9.6861
            22  O5a O    31.4735  -11.7704
            23  O5a O    33.8792  -11.7706
            24  O6a O    32.6978   -8.9340
            25  O5x O    26.6528  -11.7706
            26  O1a O    24.2457  -11.7704
            27  O1a O    29.0598  -11.7703
            28  C1a C    36.2744  -10.3738
            29  O5x O    26.6531   -6.0201
BOND        31
            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    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16    9  14 1
            17   13  15 1
            18   15  16 1
            19   16  17 1
            20   12  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   18  22 2
            25   20  23 2
            26   16  24 2
            27    7  25 2
            28    3  26 1
            29   11  27 1
            30   21  28 1
            31   10  29 2

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