KEGG   COMPOUND: C11715Help
Entry
C11715                      Compound                               

Name
Lucanthone
Formula
C20H24N2OS
Exact mass
340.1609
Mol weight
340.4824
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 479-50-5
PubChem: 13880
ChEBI: 51052
ChEMBL: CHEMBL279014
NIKKAJI: J1.540G
LinkDB All DBs
KCF data Show

ATOM        24
            1   C8x C    38.1831  -16.4155
            2   C8x C    38.1711  -15.0141
            3   C8x C    36.9477  -14.3201
            4   C8x C    36.9716  -17.1230
            5   C8y C    35.7622  -16.4361
            6   C8y C    35.7563  -15.0346
            7   S2x S    34.5385  -14.3355
            8   C8y C    34.5505  -17.1384
            9   C8y C    33.3328  -16.4464
            10  C8y C    33.3337  -15.0484
            11  C8y C    32.1223  -14.3453
            12  C8x C    30.9104  -15.0473
            13  C8x C    30.9097  -16.4451
            14  C8y C    32.1209  -17.1411
            15  O5x O    34.5564  -18.5400
            16  N1b N    32.1203  -18.5427
            17  C1a C    32.1231  -12.9439
            18  C1b C    30.9052  -19.2461
            19  C1b C    29.6907  -18.5413
            20  N1c N    28.4758  -19.2449
            21  C1b C    27.2686  -18.5400
            22  C1b C    28.4751  -20.6463
            23  C1a C    27.2669  -21.3430
            24  C1a C    26.0534  -19.2365
BOND        26
            1     3   6 2
            2     9  10 2
            3    10  11 1
            4    11  12 2
            5    12  13 1
            6    13  14 2
            7    14   9 1
            8     5   6 1
            9     8  15 2
            10    6   7 1
            11   14  16 1
            12    7  10 1
            13   11  17 1
            14    9   8 1
            15   16  18 1
            16    8   5 1
            17   18  19 1
            18    5   4 2
            19   19  20 1
            20    4   1 1
            21   20  21 1
            22   20  22 1
            23    1   2 2
            24   22  23 1
            25    2   3 1
            26   21  24 1

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