KEGG   COMPOUND: C15634Help
Entry
C15634                      Compound                               

Name
Arotinoid acid;
TTNPB;
Ro 13-7410
Formula
C24H28O2
Exact mass
348.2089
Mol weight
348.4779
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 71441-28-6
PubChem: 17396624
ChEBI: 75261
ChEMBL: CHEMBL275311
PDB-CCD: TTB[PDBj]
NIKKAJI: J325.995A
KCF data Show

ATOM        26
            1   C1x C     5.5300  -12.3200
            2   C1x C     5.5300  -13.7200
            3   C1z C     6.7424  -14.4200
            4   C8y C     7.9549  -13.7200
            5   C8y C     7.9549  -12.3200
            6   C1z C     6.7424  -11.6200
            7   C8x C     9.1673  -14.4200
            8   C8x C    10.3797  -13.7200
            9   C8y C    10.3797  -12.3200
            10  C8x C     9.1673  -11.6200
            11  C2c C    11.5922  -11.6200
            12  C1a C    11.5922  -10.2200
            13  C2b C    12.8046  -12.3200
            14  C8y C    14.0170  -11.6200
            15  C8x C    14.0170  -10.2200
            16  C8x C    15.2294  -12.3200
            17  C8x C    16.4419  -11.6200
            18  C8y C    16.4419  -10.2200
            19  C8x C    15.2294   -9.5200
            20  C6a C    17.6543   -9.5200
            21  O6a O    17.6543   -8.1200
            22  O6a O    18.8667  -10.2200
            23  C1a C     6.0424  -10.4076
            24  C1a C     7.4424  -10.4076
            25  C1a C     6.0424  -15.6324
            26  C1a C     7.4424  -15.6324
BOND        28
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   11  13 2
            15   13  14 1
            16   14  15 2
            17   14  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   15  19 1
            22   18  20 1
            23   20  21 2
            24   20  22 1
            25    6  23 1
            26    6  24 1
            27    3  25 1
            28    3  26 1

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