KEGG COMPOUND: C10585

COMPOUND: C10585

Entry

C10585                      Compound

Name

Cryogenine;
Lythran-12-one, 4'',5''-dimethoxy-2'-hydroxy-, (10-alpha)-;
Vertine

Formula

C26H29NO5

Exact mass

435.2046

Mol weight

435.5122

Structure

Other DBs

CAS:	10308-13-1

PubChem:

ChEBI:

KNApSAcK:

3DMET:

NIKKAJI:

LinkDB

KCF data

ATOM        32
            1   C8y C    25.3753  -13.8027
            2   C8y C    24.1653  -14.4923
            3   C1y C    25.3870  -12.4116
            4   C8x C    26.5792  -14.4982
            5   C8y C    22.9612  -13.8027
            6   C8x C    24.1653  -15.8834
            7   C1x C    25.3927  -11.0029
            8   C1x C    26.6026  -13.1130
            9   C8y C    26.5792  -15.8951
            10  C8x C    22.9554  -12.4057
            11  C8y C    21.7513  -14.5099
            12  C8y C    25.3693  -16.5907
            13  C1y C    26.6143  -10.3015
            14  N1y N    27.8885  -12.4174
            15  O2a O    27.7834  -16.5965
            16  C8y C    21.7396  -11.7043
            17  C8x C    20.5414  -13.8143
            18  O1a O    21.7396  -15.9127
            19  O2a O    25.3636  -17.9819
            20  C1y C    27.8300  -11.0088
            21  O7x O    25.3987   -9.6060
            22  C1x C    29.0342  -13.1188
            23  C1a C    27.7834  -17.9936
            24  C8x C    20.5356  -12.4116
            25  C2x C    21.7396  -10.2957
            26  C1a C    26.5792  -18.6716
            27  C1x C    29.0516  -10.3132
            28  C7x C    24.1770  -10.2957
            29  C1x C    30.2498  -12.4291
            30  C2x C    22.9612   -9.6001
            31  C1x C    30.2558  -11.0205
            32  O6a O    24.1653  -11.7043
BOND        36
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   10  16 2
            16   11  17 1
            17   11  18 1
            18   12  19 1
            19   13  20 1
            20   13  21 1 #Up
            21   14  22 1
            22   15  23 1
            23   16  24 1
            24   16  25 1
            25   19  26 1
            26   20  27 1
            27   21  28 1
            28   22  29 1
            29   25  30 2
            30   27  31 1
            31   28  32 2
            32    9  12 2
            33   14  20 1
            34   17  24 2
            35   28  30 1
            36   29  31 1

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