KEGG   COMPOUND: C10279Help
Entry
C10279                      Compound                               

Name
Angularine
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
    C10279  Angularine
BRITE hierarchy
Other DBs
CAS: 1354-37-6
PubChem: 12465
ChEBI: 2722
KNApSAcK: C00002080
3DMET: B03702
NIKKAJI: J2.772.236I
LinkDB All DBs
KCF data Show

ATOM        25
            1   C1y C    27.1891  -19.9330
            2   N1y N    27.2067  -20.9948
            3   C1y C    26.0048  -19.2445
            4   C1y C    28.3735  -19.2619
            5   C1x C    28.4493  -21.6366
            6   C1x C    25.9230  -21.6366
            7   C1x C    24.8904  -20.4463
            8   O7x O    26.0048  -17.8850
            9   C1y C    29.4063  -20.4463
            10  C1x C    28.3735  -17.8909
            11  C7x C    24.8146  -17.2025
            12  O1a O    30.9641  -20.4463
            13  O7x O    29.6396  -17.2141
            14  C2y C    24.8146  -15.8313
            15  O6a O    23.6360  -17.8909
            16  C7x C    29.5755  -15.8372
            17  C1x C    26.0048  -15.1428
            18  C2b C    23.6360  -15.1428
            19  C1z C    28.3852  -15.1487
            20  O6a O    30.7599  -15.1428
            21  C2y C    27.2067  -15.8313
            22  C1a C    22.4399  -15.8313
            23  C1a C    27.6910  -13.9527
            24  O1a O    28.7412  -13.8185
            25  C2a C    27.2008  -16.8525
BOND        27
            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     4  10 1
            10    8  11 1
            11    9  12 1 #Down
            12   10  13 1
            13   11  14 1
            14   11  15 2
            15   13  16 1
            16   14  17 1
            17   14  18 2
            18   16  19 1
            19   16  20 2
            20   17  21 1
            21   18  22 1
            22   19  23 1 #Down
            23   19  24 1 #Up
            24   21  25 2
            25    5   9 1
            26    6   7 1
            27   19  21 1

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