KEGG   COMPOUND: C16696Help
Entry
C16696                      Compound                               

Name
Dolichotheline
Formula
C10H17N3O
Exact mass
195.1372
Mol weight
195.2615
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01065  Biosynthesis of alkaloids derived from histidine and purine
map01110  Biosynthesis of secondary metabolites
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from histidine
   Imidazole alkaloids
    C16696  Dolichotheline
BRITE hierarchy
Other DBs
CAS: 23100-08-5
PubChem: 51091018
ChEBI: 80664
NIKKAJI: J16.769J
KCF data Show

ATOM        14
            1   C8x C    20.8600  -16.1000
            2   C8y C    20.8600  -17.5000
            3   N5x N    22.1915  -17.9326
            4   C8x C    23.0144  -16.8000
            5   N4x N    22.1915  -15.6674
            6   C1b C    19.7274  -18.3229
            7   C1b C    18.4653  -17.7611
            8   N1b N    18.4653  -16.3611
            9   C5a C    17.2529  -15.6611
            10  C1b C    16.0404  -16.3611
            11  C1c C    14.8280  -15.6611
            12  C1a C    13.6165  -16.3606
            13  C1a C    14.8281  -14.2801
            14  O5a O    17.2524  -14.2804
BOND        14
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     1   5 1
            6     2   6 1
            7     6   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   11  13 1
            14    9  14 2

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