KEGG   COMPOUND: C16861
Entry
C16861                      Compound                               
Name
13-Deoxytedanolide
Formula
C32H50O10
Exact mass
594.3404
Mol weight
594.7334
Structure
Other DBs
CAS: 134455-11-1
PubChem: 96023382
PDB-CCD: 13T[PDBj]
NIKKAJI: J416.774K
LinkDB
KCF data

ATOM        42
            1   C5x C    31.4346  -30.1318
            2   C1y C    31.4346  -31.5288
            3   C1x C    32.6222  -32.2273
            4   O7x O    33.8795  -31.5288
            5   C1y C    32.6222  -29.4333
            6   C1x C    33.8795  -27.3379
            7   C1x C    32.6222  -28.0363
            8   C2x C    36.2544  -25.9407
            9   C1y C    35.0670  -25.2423
            10  C5x C    33.8795  -25.9407
            11  C1y C    36.2544  -30.1318
            12  C1y C    37.5118  -29.4333
            13  C5x C    37.5118  -28.0363
            14  C7x C    35.0670  -32.2273
            15  C1y C    36.2544  -31.5288
            16  O5x O    32.6920  -25.2423
            17  O6a O    35.0670  -33.6942
            18  C1a C    38.6294  -30.1318
            19  C1a C    35.0670  -23.8453
            20  C1c C    30.2473  -32.2273
            21  C1y C    38.6294  -27.3379
            22  C1y C    38.6742  -25.9407
            23  C2y C    37.4644  -25.2423
            24  O5x O    30.3617  -29.4382
            25  C1z C    29.0375  -31.5288
            26  C1y C    27.8275  -32.2273
            27  C1c C    26.6178  -31.5288
            28  C2b C    25.4079  -32.2273
            29  C2b C    24.1980  -31.5288
            30  O1a O    30.2530  -33.7634
            31  O2x O    29.0375  -32.9258
            32  C1a C    26.6178  -30.1318
            33  C1a C    24.1980  -30.1318
            34  O1a O    37.4672  -32.2225
            35  O2a O    35.0504  -29.4233
            36  O5x O    36.2899  -27.3591
            37  C1a C    39.8403  -28.0345
            38  C1a C    33.9132  -30.1770
            39  O1a O    39.9141  -25.2510
            40  C1a C    37.4644  -23.8455
            41  C1a C    33.8297  -28.3179
            42  C1a C    29.0375  -30.1288
BOND        43
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   5 1
            5     6   7 1
            6     5   7 1
            7     8   9 1
            8     9  10 1
            9     6  10 1
            10   11  12 1
            11   12  13 1
            12    4  14 1
            13   14  15 1
            14   11  15 1
            15   10  16 2
            16   14  17 2
            17   12  18 1 #Up
            18    9  19 1 #Up
            19    2  20 1
            20   13  21 1
            21   21  22 1
            22   22  23 1
            23    8  23 2
            24    1  24 2
            25   20  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 2
            30   20  30 1 #Down
            31   26  31 1 #Down
            32   25  31 1 #Down
            33   27  32 1 #Down
            34   29  33 1
            35   15  34 1 #Up
            36   11  35 1 #Up
            37   13  36 2
            38   21  37 1 #Up
            39   35  38 1
            40   22  39 1 #Down
            41   23  40 1
            42    5  41 1 #Up
            43   25  42 1 #Up

» Japanese version

DBGET integrated database retrieval system