KEGG   COMPOUND: C09604Help
Entry
C09604                      Compound                               

Name
(-)-Pellotine;
Pellotine
Formula
C13H19NO3
Exact mass
237.1365
Mol weight
237.2949
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C09604  (-)-Pellotine
BRITE hierarchy
Other DBs
CAS: 83-14-7
PubChem: 11795
ChEBI: 107
KNApSAcK: C00001901
3DMET: B03121
NIKKAJI: J8.614B
LinkDB All DBs
KCF data Show

ATOM        17
            1   C8y C    27.3053  -17.7215
            2   C8y C    27.3170  -16.3165
            3   C8y C    26.1102  -18.4153
            4   C1y C    28.5180  -18.4211
            5   C8x C    26.1102  -15.6110
            6   C1x C    28.5297  -15.6169
            7   C8y C    24.8918  -17.7215
            8   O1a O    26.0985  -19.8202
            9   N1y N    29.7365  -17.7274
            10  C1a C    28.5064  -19.8202
            11  C8y C    24.8918  -16.3165
            12  C1x C    29.7422  -16.3282
            13  O2a O    23.6792  -18.4153
            14  C1a C    30.9431  -18.4211
            15  O2a O    23.6792  -15.6110
            16  C1a C    22.4665  -17.7215
            17  C1a C    22.4665  -16.3106
BOND        18
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 1 #Down
            10    5  11 2
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14   11  15 1
            15   13  16 1
            16   15  17 1
            17    7  11 1
            18    9  12 1

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