KEGG   COMPOUND: C12149
Entry
C12149                      Compound                               
Name
Stigmatellin X
Formula
C28H38O6
Exact mass
470.2668
Mol weight
470.5977
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1311 Benzopyranoids
    C12149  Stigmatellin X
Other DBs
PubChem: 14296
ChEBI: 32156
NIKKAJI: J2.474.279B
LinkDB
KCF data

ATOM        34
            1   C8y C    18.3866  -16.5540
            2   C8y C    18.3795  -15.1513
            3   O2x O    19.5916  -14.4474
            4   C8y C    20.8111  -15.1391
            5   C8y C    20.8180  -16.5418
            6   C8y C    19.6058  -17.2529
            7   C8x C    15.9615  -16.5540
            8   C8y C    15.9615  -15.1513
            9   C8x C    17.1803  -14.4534
            10  C8y C    17.1803  -17.2590
            11  O5x O    19.6128  -18.6557
            12  C1a C    22.0375  -17.2407
            13  C1b C    22.0168  -14.4463
            14  C1b C    23.2222  -15.1373
            15  C1c C    24.4346  -14.4394
            16  C1c C    25.6471  -15.1302
            17  C1c C    26.8596  -14.4323
            18  C1c C    28.0719  -15.1231
            19  C2b C    29.2844  -14.4252
            20  C2b C    30.4969  -15.1161
            21  C2b C    31.7023  -14.4183
            22  C2b C    32.9147  -15.1090
            23  C2c C    34.1272  -14.4112
            24  C2b C    35.3397  -15.1019
            25  C1a C    36.5521  -14.4040
            26  C1a C    24.4315  -13.0366
            27  C1a C    26.8565  -13.0295
            28  O2a O    28.0750  -16.5257
            29  O2a O    25.6501  -16.5328
            30  C1a C    26.8675  -17.3051
            31  C1a C    29.2844  -17.2378
            32  C1a C    34.1942  -13.0083
            33  O1a O    17.1834  -18.6618
            34  O1a O    14.7462  -14.4528
BOND        35
            1     3   4 1
            2    16  17 1
            3     7   8 1
            4    17  18 1
            5     8   9 2
            6    18  19 1
            7     9   2 1
            8    19  20 2
            9     1  10 1
            10   20  21 1
            11   10   7 2
            12   21  22 2
            13    4   5 2
            14   22  23 1
            15    6  11 2
            16   23  24 2
            17    5   6 1
            18   24  25 1
            19    5  12 1
            20   15  26 1 #Down
            21    6   1 1
            22   17  27 1 #Down
            23    4  13 1
            24   18  28 1 #Down
            25   16  29 1 #Up
            26   13  14 1
            27   29  30 1
            28    1   2 2
            29   28  31 1
            30   14  15 1
            31   23  32 1
            32    2   3 1
            33   10  33 1
            34   15  16 1
            35    8  34 1

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