KEGG   COMPOUND: C12420Help
Entry
C12420                      Compound                               

Name
12-Deoxyaklanonic acid
Formula
C21H18O7
Exact mass
382.1053
Mol weight
382.3634
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.-
Other DBs
PubChem: 582810
ChEBI: 31054
3DMET: B04500
NIKKAJI: J679.239A
KCF data Show

ATOM        28
            1   C8x C    21.1523  -17.6779
            2   C8x C    21.1523  -19.2761
            3   C8y C    22.3557  -19.9709
            4   C8y C    23.5593  -19.2761
            5   C8y C    23.5593  -17.6779
            6   C8x C    22.3557  -16.9831
            7   C5x C    24.7628  -19.9709
            8   C8y C    25.9663  -19.2761
            9   C8y C    25.9663  -17.6779
            10  C1x C    24.7628  -16.9831
            11  C8y C    27.1698  -19.9709
            12  C8y C    28.3733  -19.2761
            13  C8y C    28.3733  -17.6779
            14  C8x C    27.1698  -16.9831
            15  C1b C    29.5821  -16.9831
            16  C6a C    30.7857  -17.6779
            17  O6a O    31.9892  -16.9831
            18  C5a C    29.5821  -19.9709
            19  C1b C    30.7857  -19.2761
            20  C5a C    31.9892  -19.9709
            21  C1b C    33.1926  -19.2761
            22  O5a O    29.5835  -21.3604
            23  O5a O    31.9892  -21.3606
            24  O6a O    30.8078  -18.5240
            25  O5x O    24.7628  -21.3606
            26  O1a O    22.3557  -21.3604
            27  O1a O    27.1698  -21.3603
            28  C1a C    34.3844  -19.9638
BOND        30
            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

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