KEGG   COMPOUND: C06801
Entry
C06801                      Compound                               

Name
Tetracenomycin C
Formula
C23H20O11
Exact mass
472.1006
Mol weight
472.3983
Structure
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00783  Tetracenomycin C/8-demethyltetracenomycin C biosynthesis, tetracenomycin F2 => tetracenomycin C/8-demethyltetracenomycin C
Enzyme
Other DBs
CAS: 71135-22-3
PubChem: 9020
ChEBI: 9470
3DMET: B02096
NIKKAJI: J479.691H
KCF data

ATOM        34
            1   C2y C    22.7493  -18.2263
            2   C2x C    22.7493  -19.6295
            3   C5x C    23.9682  -20.3346
            4   C1y C    23.9682  -17.5282
            5   C1z C    25.1801  -18.2263
            6   C1z C    25.1742  -19.6295
            7   C5x C    26.3874  -20.3397
            8   C5x C    26.3992  -17.5335
            9   C8y C    27.6122  -18.2366
            10  C8y C    27.5997  -19.6361
            11  C8y C    28.8062  -20.3503
            12  C8x C    28.8314  -17.5513
            13  C8y C    30.0311  -18.2584
            14  C8y C    30.0109  -19.6576
            15  C8y C    31.2136  -20.3781
            16  C8x C    31.2537  -17.5799
            17  C8y C    32.4562  -18.2933
            18  C8y C    32.4996  -19.6851
            19  C7a C    33.6228  -20.4075
            20  O7a O    34.8424  -19.7381
            21  O2a O    33.6757  -17.6237
            22  O5x O    23.9714  -21.7376
            23  O1a O    23.9699  -16.1252
            24  O1a O    25.1676  -16.8233
            25  O1a O    25.1607  -21.0255
            26  O2a O    21.5334  -17.5276
            27  O5x O    26.4051  -16.1305
            28  O5x O    26.3847  -21.7427
            29  O1a O    28.8657  -21.7534
            30  C1a C    31.1982  -21.7809
            31  O6a O    33.5960  -21.8104
            32  C1a C    36.0449  -20.4592
            33  C1a C    20.3240  -18.2251
            34  C1a C    34.8758  -18.3513
BOND        37
            1    16  13 1
            2     7  10 1
            3     9   8 1
            4     8   5 1
            5     5   4 1
            6     4   1 1
            7    17  18 1
            8    18  19 1
            9    19  20 1
            10   21  17 1
            11    1   2 2
            12    3  22 2
            13    9  10 2
            14    4  23 1 #Up
            15   10  11 1
            16    5  24 1 #Up
            17   11  14 2
            18    6  25 1 #Up
            19   13  12 2
            20    1  26 1
            21   12   9 1
            22    2   3 1
            23    8  27 2
            24    3   6 1
            25    7  28 2
            26    5   6 1
            27   11  29 1
            28    6   7 1
            29   15  30 1
            30   13  14 1
            31   14  15 1
            32   19  31 2
            33   20  32 1
            34   15  18 2
            35   26  33 1
            36   17  16 2
            37   21  34 1

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