KEGG   COMPOUND: C10375Help
Entry
C10375                      Compound                               

Name
Riddelline;
18-Hydroxyseneciphylline
Formula
C18H23NO6
Exact mass
349.1525
Mol weight
349.3783
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Pyrrolizidine alkaloids
    C10375  Riddelline
Carcinogens [BR:br08008]
 Group 2B: Possibly carcinogenic to humans
  Compounds
   C10375  Riddelline
BRITE hierarchy
Other DBs
CAS: 23246-96-0
PubChem: 12561
ChEBI: 63924
KNApSAcK: C00002110
3DMET: B03788
NIKKAJI: J54.300D
LinkDB All DBs
KCF data Show

ATOM        25
            1   C1y C    28.9213  -18.8617
            2   C1y C    27.7341  -18.1718
            3   C2y C    30.1085  -18.1893
            4   N1y N    28.9387  -19.9261
            5   O7x O    27.7341  -16.8091
            6   C1x C    26.6169  -19.3822
            7   C1x C    30.1085  -16.8149
            8   C2x C    31.1495  -19.3822
            9   C1x C    27.6522  -20.5694
            10  C1x C    30.1844  -20.5694
            11  C7x C    26.5410  -16.1190
            12  O7x O    31.3131  -16.1307
            13  C2y C    26.5410  -14.7447
            14  O6a O    25.3480  -16.8149
            15  C7x C    31.3191  -14.7505
            16  C1x C    27.7341  -14.0487
            17  C2b C    25.3480  -14.0487
            18  C1z C    30.1202  -14.0546
            19  O6a O    32.5063  -14.0487
            20  C2y C    28.9387  -14.7447
            21  C1a C    24.1432  -14.7447
            22  C1b C    29.4184  -12.8615
            23  O1a O    30.4828  -12.7270
            24  C2a C    28.9330  -15.9790
            25  O1a O    28.0265  -12.8557
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1 #Up
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    7  12 1
            12   11  13 1
            13   11  14 2
            14   12  15 1
            15   13  16 1
            16   13  17 2
            17   15  18 1
            18   15  19 2
            19   16  20 1
            20   17  21 1
            21   18  22 1 #Down
            22   18  23 1 #Up
            23   20  24 2
            24   22  25 1
            25    6   9 1
            26    8  10 1
            27   18  20 1

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