KEGG   COMPOUND: C10353
Entry
C10353                      Compound                               
Name
Nemorensine;
C(16a)-Homo-21-norsenecionan-11,16a-dione, 12,15-epoxy-1,2,15,20-tetrahydro-, (1alpha,12R,15R)-
Formula
C18H27NO5
Exact mass
337.1889
Mol weight
337.4107
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Pyrrolizidine alkaloids
    C10353  Nemorensine
Other DBs
CAS: 50906-96-2
PubChem: 12539
ChEBI: 7498
KNApSAcK: C00002102
3DMET: B05434
NIKKAJI: J53.044A
LinkDB
KCF data

ATOM        24
            1   O2x O    26.7315  -16.3849
            2   C1z C    27.8454  -15.6922
            3   C1y C    27.4195  -14.4471
            4   C1x C    25.9119  -14.3896
            5   C1z C    25.4253  -15.7581
            6   C1y C    26.6408  -20.4793
            7   C1y C    25.4728  -19.7881
            8   N1y N    26.6583  -21.5368
            9   C1y C    27.8336  -19.8069
            10  C1x C    24.3560  -20.9936
            11  O7x O    25.4728  -18.4313
            12  C1x C    25.3900  -22.1803
            13  C1x C    27.9104  -22.1803
            14  C1x C    28.8604  -20.9936
            15  C1x C    27.8336  -18.4370
            16  C7x C    24.2861  -17.7526
            17  O7x O    29.0262  -17.7642
            18  C1x C    24.2861  -16.3829
            19  O6a O    23.0921  -18.4370
            20  C7x C    29.0319  -16.3886
            21  O6a O    30.2060  -15.6915
            22  C1a C    29.4607  -14.6446
            23  C1a C    24.4297  -14.7692
            24  C1a C    28.2357  -13.2543
BOND        27
            1     2   3 1
            2     6   7 1
            3     6   8 1
            4     6   9 1
            5     7  10 1
            6     7  11 1 #Up
            7     8  12 1
            8     8  13 1
            9     9  14 1
            10    9  15 1 #Up
            11   11  16 1
            12   15  17 1
            13   16  18 1
            14   16  19 2
            15   17  20 1
            16   18   5 1
            17   20   2 1
            18   20  21 2
            19   10  12 1
            20   13  14 1
            21    2   1 1
            22    3   4 1
            23    2  22 1 #Up
            24    4   5 1
            25    5  23 1 #Down
            26    5   1 1
            27    3  24 1

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