KEGG   COMPOUND: C12148
Entry
C12148                      Compound                               
Name
Stigmatellin A;
Stigmatellin
Formula
C30H42O7
Exact mass
514.2931
Mol weight
514.65
Structure
Sequence
0 Atd  1 Mtd  2 Mad  3 Mam  4 Mtm  5 Mte  6 Man  7 Mtn  8 Man
9 Man  10 Man
  Gene
0-1 stiA [UP:Q8RJY6]; 2 stiB [UP:Q8RJY5]; 3 stiC [UP:Q8RJY4];
4 stiD [UP:Q8RJY3]; 5 stiE [UP:Q8RJY2]; 6 stiF [UP:Q8RJY1];
7 stiG [UP:Q8RJY0]; 8-10 stiJ [UP:Q8RJX8]
  Organism
Stigmatella aurantiaca
  Type
PK
Pathway
map01052  Type I polyketide structures
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1311 Benzopyranoids
    C12148  Stigmatellin A
Other DBs
CAS: 91682-96-1
PubChem: 14295
ChEBI: 32155
KNApSAcK: C00018584
NIKKAJI: J55.620C
LinkDB
KCF data

ATOM        37
            1   C8y C    19.0196  -16.2249
            2   C8y C    19.0125  -14.8219
            3   O2x O    20.2250  -14.1179
            4   C8y C    21.4444  -14.8097
            5   C8y C    21.4514  -16.2127
            6   C8y C    20.2392  -16.9239
            7   C8x C    16.6014  -16.2249
            8   C8y C    16.6014  -14.8219
            9   C8y C    17.8203  -14.1240
            10  C8y C    17.8203  -16.9300
            11  O5x O    20.2462  -18.3267
            12  C1a C    22.6710  -16.9117
            13  C1b C    22.6503  -14.1170
            14  C1b C    23.8630  -14.8079
            15  C1c C    25.0754  -14.1099
            16  C1c C    26.2881  -14.8008
            17  C1c C    27.5007  -14.1028
            18  C1c C    28.7063  -14.7938
            19  C2b C    29.9188  -14.0959
            20  C2b C    31.1314  -14.7867
            21  C2b C    32.3441  -14.0888
            22  C2b C    33.5566  -14.7796
            23  C2c C    34.7692  -14.0817
            24  C2b C    35.9819  -14.7727
            25  C1a C    37.1874  -14.0747
            26  C1a C    25.0724  -12.7071
            27  C1a C    27.4977  -12.7000
            28  O2a O    28.7093  -16.1968
            29  O2a O    26.2911  -16.2038
            30  C1a C    27.5087  -16.9063
            31  C1a C    29.9188  -16.9088
            32  C1a C    34.7662  -12.6788
            33  O2a O    17.8234  -18.3328
            34  O1a O    17.8253  -12.7211
            35  O2a O    15.3859  -14.1235
            36  C1a C    14.1697  -14.8207
            37  C1a C    16.6091  -19.0334
BOND        38
            1    17  18 1
            2     8   9 2
            3    18  19 1
            4     9   2 1
            5    19  20 2
            6     1  10 1
            7    20  21 1
            8    10   7 2
            9    21  22 2
            10    4   5 2
            11   22  23 1
            12    6  11 2
            13   23  24 2
            14    5   6 1
            15   24  25 1
            16    5  12 1
            17   15  26 1 #Down
            18    6   1 1
            19   17  27 1 #Down
            20    4  13 1
            21   18  28 1 #Down
            22   16  29 1 #Up
            23   13  14 1
            24   29  30 1
            25    1   2 2
            26   28  31 1
            27   14  15 1
            28   23  32 1
            29    2   3 1
            30   10  33 1
            31   15  16 1
            32    9  34 1
            33    3   4 1
            34    8  35 1
            35   16  17 1
            36   35  36 1
            37    7   8 1
            38   33  37 1

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