KEGG   COMPOUND: C18630
Entry
C18630                      Compound                               

Name
Nogalaviketone;
Methyl 5,7-dihydroxy-2-methyl-4,6,11-trioxo-3,4,6,11-tetrahydrotetracene-1-carboxylate
Formula
C21H16O8
Exact mass
396.0845
Mol weight
396.3469
Structure
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00781  Nogalavinone/aklavinone biosynthesis, deoxynogalonate/deoxyaklanonate => nogalavinone/aklavinone
Enzyme
1.1.1.-         5.5.1.26
Other DBs
PubChem: 124489304
ChEBI: 81874
KCF data

ATOM        29
            1   C8x C     9.3105  -29.5024
            2   C8x C     9.3105  -30.9033
            3   C8y C    10.5236  -31.6036
            4   C8y C    11.7368  -30.9033
            5   C8y C    11.7368  -29.5024
            6   C8x C    10.5236  -28.8021
            7   C5x C    12.9497  -31.6036
            8   C8y C    14.1627  -30.9033
            9   C8y C    14.1627  -29.5024
            10  C5x C    12.9497  -28.8021
            11  C8y C    15.3759  -31.6036
            12  C8y C    16.5889  -30.9033
            13  C8y C    16.5889  -29.5024
            14  C8x C    15.3759  -28.8021
            15  C5x C    17.8018  -31.6036
            16  C1x C    19.0151  -30.9033
            17  C1z C    19.0151  -29.5024
            18  C1y C    17.8018  -28.8021
            19  O5x O    12.9497  -27.4013
            20  O5x O    12.9497  -33.0042
            21  O1a O    10.5236  -33.0040
            22  O1a O    15.3759  -33.0039
            23  O5x O    17.8018  -33.0041
            24  C7a C    17.8018  -27.4014
            25  O6a O    16.5761  -26.6934
            26  O7a O    19.0023  -26.7082
            27  C1a C    19.0023  -25.3077
            28  O1a O    20.2281  -30.2027
            29  C1a C    20.2283  -28.8020
BOND        32
            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   12  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   13  18 1
            22   10  19 2
            23    7  20 2
            24    3  21 1
            25   11  22 1
            26   15  23 2
            27   18  24 1 #Up
            28   24  25 2
            29   24  26 1
            30   26  27 1
            31   17  28 1 #Up
            32   17  29 1 #Down

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