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
396.35
Structure
Reaction
R09328 R09329
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
LinkDB
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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