KEGG   COMPOUND: C10364Help
Entry
C10364                      Compound                               

Name
Retrorsine
Formula
C18H25NO6
Exact mass
351.1682
Mol weight
351.3942
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Pyrrolizidine alkaloids
    C10364  Retrorsine
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C10364  Retrorsine
BRITE hierarchy
Other DBs
CAS: 480-54-6
PubChem: 12550
ChEBI: 8822
ChEMBL: CHEMBL496894
KNApSAcK: C00002109
3DMET: B03777
NIKKAJI: J12.337D
KCF data Show

ATOM        25
            1   C1y C    28.8656  -18.8930
            2   C1y C    27.6883  -18.1994
            3   C2y C    30.0605  -18.2168
            4   N1y N    28.8832  -19.9597
            5   O7x O    27.6883  -16.8355
            6   C1x C    26.5691  -19.4060
            7   C1x C    30.0605  -16.8413
            8   C2x C    31.0980  -19.4060
            9   C1x C    27.6007  -20.6009
            10  C1x C    30.1362  -20.6009
            11  C7x C    26.4934  -16.1477
            12  O7x O    31.2613  -16.1594
            13  C2y C    26.4934  -14.7721
            14  O6a O    25.3042  -16.8413
            15  C7x C    31.2670  -14.7780
            16  C1x C    27.6883  -14.0786
            17  C2b C    25.3042  -14.0786
            18  C1z C    30.0721  -14.0843
            19  O6a O    32.4562  -14.0786
            20  C1y C    28.8832  -14.7721
            21  C1a C    24.1036  -14.7721
            22  C1b C    29.3727  -12.8837
            23  O1a O    30.4335  -12.7497
            24  C1a C    28.8772  -15.8677
            25  O1a O    27.9797  -12.8837
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1 #Up
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    7  12 1
            12   11  13 1
            13   11  14 2
            14   12  15 1
            15   13  16 1
            16   13  17 2
            17   15  18 1
            18   15  19 2
            19   16  20 1
            20   17  21 1
            21   18  22 1 #Down
            22   18  23 1 #Up
            23   20  24 1 #Down
            24   22  25 1
            25    6   9 1
            26    8  10 1
            27   18  20 1

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