C10858


Entry
C10858                      Compound                               
Name
Ecgonine
Formula
C9H15NO3
Exact mass
185.1052
Mol weight
185.2203
Structure
Reaction
R06729 R06730
Pathway
map00960  Tropane, piperidine and pyridine alkaloid biosynthesis
Enzyme
3.1.1.-         5.1.-.-
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Tropane alkaloids
    C10858  Ecgonine
Other DBs
CAS: 481-37-8
PubChem: 13041
ChEBI: 176716 4743
KNApSAcK: C00002291
3DMET: B05504
NIKKAJI: J12.430C
KCF data

ATOM        13
            1   C1x C    26.9566  -19.0987
            2   C1y C    25.5622  -18.1124
            3   C1y C    25.4863  -19.0987
            4   N1y N    24.7522  -17.2289
            5   C1x C    24.5746  -18.6862
            6   C1x C    24.0635  -19.7417
            7   C1a C    24.8122  -15.8520
            8   C1y C    26.9566  -18.1124
            9   C1y C    27.8976  -19.5598
            10  O1a O    29.2864  -19.4280
            11  C6a C    27.5901  -16.9050
            12  O6a O    28.9542  -16.8626
            13  O6a O    26.9047  -15.7105
BOND        14
            1     3   4 1
            2     5   6 1
            3     4   7 1
            4     9   1 1
            5     8   2 1
            6     8   9 1
            7     1   3 1
            8     9  10 1 #Up
            9     2   4 1
            10    8  11 1 #Up
            11    2   5 1
            12   11  12 1
            13    3   6 1
            14   11  13 2