KEGG   COMPOUND: C18631Help
Entry
C18631                      Compound                               

Name
Nogalavinone;
Nogalamycinone
Formula
C21H18O8
Exact mass
398.1002
Mol weight
398.3628
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
1.1.1.-
Other DBs
PubChem: 124489305
ChEBI: 81875
LinkDB All DBs
KCF data Show

ATOM        29
            1   C8x C    21.6958  -19.5474
            2   C8x C    21.6958  -20.9476
            3   C8y C    22.9082  -21.6475
            4   C8y C    24.1208  -20.9476
            5   C8y C    24.1208  -19.5474
            6   C8x C    22.9082  -18.8474
            7   C5x C    25.3331  -21.6475
            8   C8y C    26.5455  -20.9476
            9   C8y C    26.5455  -19.5474
            10  C5x C    25.3331  -18.8474
            11  C8y C    27.7581  -21.6475
            12  C8y C    28.9705  -20.9476
            13  C8y C    28.9705  -19.5474
            14  C8x C    27.7581  -18.8474
            15  C1y C    30.1827  -21.6475
            16  C1x C    31.3954  -20.9476
            17  C1z C    31.3954  -19.5474
            18  C1y C    30.1827  -18.8474
            19  O5x O    25.3331  -17.4474
            20  O5x O    25.3331  -23.0474
            21  O1a O    22.9082  -23.0472
            22  O1a O    27.7581  -23.0471
            23  O1a O    30.1827  -23.0473
            24  C7a C    30.1827  -17.4475
            25  O6a O    28.9577  -16.7398
            26  O7a O    31.3826  -16.7546
            27  C1a C    31.3826  -15.3548
            28  O1a O    32.6078  -20.2473
            29  C1a C    32.6080  -18.8473
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 1 #Down
            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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