KEGG   COMPOUND: C18333
Entry
C18333                      Compound                               

Name
7,9,12-Decaketide intermediate 4
Formula
C21H23O10SR
Structure
Comment
Generic compound in reaction hierarchy
Reaction
Pathway
map01056  Biosynthesis of type II polyketide backbone
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.1.1.-
Other DBs
PubChem: 124489007
ChEBI: 81679
KCF data

ATOM        33
            1   C1x C    20.3125  -16.1959
            2   C5x C    20.3125  -14.3478
            3   C1x C    21.5447  -13.5947
            4   C1z C    22.7770  -14.3478
            5   C1y C    22.7770  -16.1959
            6   C5x C    21.5447  -16.8805
            7   C1b C    24.0091  -13.5947
            8   C5a C    25.2412  -14.3478
            9   C1b C    25.2412  -16.1959
            10  C5a C    24.0091  -16.8805
            11  C1b C    26.5419  -13.5947
            12  C5a C    27.7057  -14.3478
            13  C5a C    26.5419  -16.8805
            14  C1b C    28.8694  -13.5947
            15  C5a C    30.1016  -14.3478
            16  O5x O    21.5447  -18.3182
            17  O5a O    24.0091  -18.3182
            18  O5a O    26.5419  -18.3182
            19  O5a O    27.7057  -15.3061
            20  O5a O    30.1016  -15.3061
            21  O5a O    25.2412  -15.3061
            22  C1b C    27.7057  -16.1959
            23  O5x O    19.1489  -13.6632
            24  S2a S    31.3339  -13.6632
            25  C5a C    28.9022  -16.8742
            26  C1b C    30.0818  -16.1809
            27  O5a O    28.9126  -18.3491
            28  C5a C    31.2668  -16.8526
            29  C1b C    32.4416  -16.1618
            30  O5a O    31.2774  -18.3429
            31  O1a O    22.7770  -12.9801
            32  R   R    32.7339  -13.6632
            33  C1a C    33.6388  -16.8408
BOND        33
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     5   6 1
            5     1   6 1
            6     4   7 1
            7     7   8 1
            8     9  10 1
            9     5  10 1
            10    8  11 1
            11   11  12 1
            12    9  13 1
            13   12  14 1
            14   14  15 1
            15    6  16 2
            16   10  17 2
            17   13  18 2
            18   12  19 2
            19   15  20 2
            20    8  21 2
            21   13  22 1
            22    2  23 2
            23   15  24 1
            24   22  25 1
            25   25  26 1
            26   25  27 2
            27   26  28 1
            28   28  29 1
            29   28  30 2
            30    4   5 1
            31    4  31 1
            32   24  32 1
            33   29  33 1

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