KEGG   COMPOUND: C12401
Entry
C12401                      Compound                               
Name
PD116740
Formula
C20H16O7
Exact mass
368.0896
Mol weight
368.3368
Structure
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK08 Angucyclines
   C12401  PD116740
Other DBs
PubChem: 582791
ChEBI: 31956
3DMET: B04484
NIKKAJI: J1.757.519H
LinkDB
KCF data

ATOM        27
            1   C8y C    26.7932  -17.7782
            2   C8y C    25.5036  -18.5233
            3   C8y C    25.5047  -20.0117
            4   C8x C    26.7955  -20.7550
            5   C8y C    28.0851  -20.0099
            6   C8x C    28.0840  -18.5215
            7   C2y C    24.2139  -16.2879
            8   C2y C    24.2139  -17.7782
            9   C1y C    26.7976  -16.2879
            10  C1y C    25.5059  -15.5332
            11  C8x C    19.7432  -17.7972
            12  C8x C    20.8608  -18.4277
            13  C8y C    21.9785  -17.7878
            14  C5x C    23.0962  -18.4277
            15  C8x C    19.7487  -16.2976
            16  C8y C    20.8514  -15.6478
            17  C8y C    21.9785  -16.2879
            18  C5x C    23.0868  -15.6384
            19  O2a O    20.8418  -14.3488
            20  O5x O    23.0868  -14.3391
            21  O5x O    23.1029  -19.7173
            22  O1a O    24.2045  -20.7397
            23  O1a O    25.5059  -14.1289
            24  O1a O    28.0166  -15.5907
            25  C1b C    29.3016  -20.7115
            26  O1a O    30.5094  -20.0039
            27  C1a C    19.6386  -13.6658
BOND        30
            1    14   8 1
            2     1   2 2
            3    11  15 2
            4     2   3 1
            5    15  16 1
            6     3   4 2
            7    16  17 2
            8     7   8 2
            9    17  18 1
            10   18   7 1
            11    8   2 1
            12   16  19 1
            13    1   9 1
            14   18  20 2
            15   13  17 1
            16    9  10 1
            17   14  21 2
            18   10   7 1
            19    3  22 1
            20    4   5 1
            21    5   6 2
            22   11  12 1
            23    6   1 1
            24   10  23 1 #Up
            25   12  13 2
            26    9  24 1 #Down
            27    5  25 1
            28   13  14 1
            29   25  26 1
            30   19  27 1

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