KEGG   COMPOUND: C10324
Entry
C10324                      Compound                               

Name
Heliotrine;
9-Heliotrylheliotridine
Formula
C16H27NO5
Exact mass
313.1889
Mol weight
313.3893
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Pyrrolizidine alkaloids
    C10324  Heliotrine
Other DBs
CAS: 303-33-3
PubChem: 12510
ChEBI: 5643
ChEMBL: CHEMBL2165593
KNApSAcK: C00002090
3DMET: B03741
NIKKAJI: J4.476H
KCF data

ATOM        22
            1   C1y C    24.1210  -19.1612
            2   C2y C    25.4246  -18.6960
            3   N1y N    24.1675  -20.5467
            4   C1y C    22.7820  -18.7893
            5   C2x C    26.2807  -19.7781
            6   C1b C    25.4187  -17.3105
            7   C1x C    25.5004  -20.9244
            8   C1x C    22.8683  -21.0294
            9   C1x C    22.0136  -19.9531
            10  O1a O    22.7704  -17.3981
            11  O7a O    26.6177  -16.6121
            12  C7a C    27.8165  -17.2988
            13  C1d C    29.0222  -16.6063
            14  O6a O    27.8106  -18.6902
            15  C1c C    30.2153  -17.2930
            16  C1c C    29.0105  -15.2149
            17  C1a C    30.2095  -14.5165
            18  C1a C    27.7989  -14.5222
            19  O1a O    30.4617  -15.7063
            20  C1a C    31.4080  -16.6002
            21  O2a O    30.2460  -18.7798
            22  C1a C    31.4134  -19.3622
BOND        23
            1     3   8 1
            2     4   9 1
            3     4  10 1 #Down
            4     6  11 1
            5    11  12 1
            6    12  13 1
            7    12  14 2
            8    13  15 1
            9     5   7 1
            10    8   9 1
            11   13  16 1 #Down
            12    1   2 1
            13    1   3 1
            14   16  17 1
            15   16  18 1
            16    1   4 1
            17   13  19 1 #Up
            18    2   5 2
            19   15  20 1
            20    2   6 1
            21   15  21 1 #Up
            22    3   7 1
            23   21  22 1

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