KEGG   COMPOUND: C10356
Entry
C10356                      Compound                               

Name
Otonecine;
(1R,4beta,7abeta)-2,3,5,7a-Tetrahydro-1,7a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium
Formula
C9H15NO3
Exact mass
185.1052
Mol weight
185.2203
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Pyrrolizidine alkaloids
    C10356  Otonecine
Other DBs
CAS: 6887-34-9
PubChem: 12542
ChEBI: 7804
KNApSAcK: C00002103
3DMET: B03770
NIKKAJI: J14.046E
KCF data

ATOM        13
            1   C2y C    27.4226  -16.8174
            2   C5x C    26.0750  -17.1966
            3   C2x C    28.2045  -17.9843
            4   C1b C    28.1111  -15.6039
            5   C1y C    24.7739  -16.7182
            6   O5x O    26.1333  -15.7905
            7   C1x C    27.3352  -19.0870
            8   O1a O    29.5056  -15.6039
            9   C1x C    23.9046  -17.8151
            10  O1a O    24.0563  -15.4989
            11  N1y N    26.0224  -18.5968
            12  C1x C    24.6747  -18.9761
            13  C1a C    26.0107  -19.9971
BOND        13
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    7  11 1
            11    9  12 1
            12   11  13 1
            13   11  12 1

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