KEGG   COMPOUND: C10263
Entry
C10263                      Compound                               
Name
Amabiline;
Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester
Formula
C15H25NO4
Exact mass
283.1784
Mol weight
283.3633
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Pyrrolizidine alkaloids
    C10263  Amabiline
Other DBs
CAS: 17958-43-9
PubChem: 12449
ChEBI: 2617
KNApSAcK: C00002077
3DMET: B03686
NIKKAJI: J16.159D
LinkDB
KCF data

ATOM        20
            1   C1y C    24.1731  -19.1121
            2   C2y C    25.4155  -18.6395
            3   N1y N    24.1498  -20.5060
            4   C1x C    22.7442  -18.7328
            5   C2x C    26.2729  -19.7360
            6   C1b C    25.4155  -17.2339
            7   C1x C    25.4913  -20.8967
            8   C1x C    22.8434  -20.9960
            9   C1x C    21.9626  -19.9052
            10  O7a O    26.6229  -16.5282
            11  C7a C    27.8303  -17.2281
            12  C1d C    29.0434  -16.5223
            13  O6a O    27.8943  -18.6278
            14  C1c C    29.0376  -15.1224
            15  C1c C    30.2567  -17.2222
            16  O1a O    30.2428  -15.6037
            17  C1a C    30.2450  -14.4168
            18  C1a C    27.8186  -14.4225
            19  C1a C    31.4638  -16.5165
            20  O1a O    30.2450  -18.6220
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     6  10 1
            10   10  11 1
            11   11  12 1
            12   11  13 2
            13   12  14 1 #Down
            14   12  15 1
            15   12  16 1 #Up
            16   14  17 1
            17   14  18 1
            18   15  19 1
            19   15  20 1 #Down
            20    5   7 1
            21    8   9 1

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