KEGG   COMPOUND: C10132Help
Entry
C10132                      Compound                               

Name
Australine
Formula
C8H15NO4
Exact mass
189.1001
Mol weight
189.209
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Pyrrolizidine alkaloids
    C10132  Australine
BRITE hierarchy
Other DBs
CAS: 118396-02-4
PubChem: 12318
ChEBI: 2931
ChEMBL: CHEMBL2219815
KNApSAcK: C00002023
3DMET: B03570
NIKKAJI: J511.965K
KCF data Show

ATOM        13
            1   N1y N    25.9684  -18.0795
            2   C1y C    25.9624  -16.6811
            3   C1y C    27.2964  -18.5066
            4   C1x C    24.6344  -18.5183
            5   C1y C    27.2907  -16.2423
            6   C1y C    24.6284  -16.2480
            7   C1y C    28.1156  -17.3715
            8   C1b C    27.2907  -19.8991
            9   C1x C    23.8035  -17.3891
            10  O1a O    27.2847  -14.8380
            11  O1a O    24.6167  -14.8440
            12  O1a O    29.5082  -17.3715
            13  O1a O    28.4959  -20.6012
BOND        14
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Up
            8     4   9 1
            9     5  10 1 #Up
            10    6  11 1 #Down
            11    7  12 1 #Down
            12    8  13 1
            13    5   7 1
            14    6   9 1

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