KEGG   COMPOUND: C10410
Entry
C10410                      Compound                               

Name
Triangularine;
6-Angelyl-9-sarracinylretronecine
Formula
C18H25NO5
Exact mass
335.1733
Mol weight
335.3948
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Pyrrolizidine alkaloids
    C10410  Triangularine
Other DBs
CAS: 87340-27-0
PubChem: 12596
ChEBI: 9672
KNApSAcK: C00002124
3DMET: B03823
NIKKAJI: J616.212F
KCF data

ATOM        24
            1   C1y C    26.1804  -19.0964
            2   C1y C    24.7514  -18.7231
            3   C2y C    27.4229  -18.6240
            4   N1y N    26.1514  -20.4964
            5   O7a O    24.7397  -17.3117
            6   C1x C    23.9697  -19.8957
            7   C2x C    28.2861  -19.7206
            8   C1b C    27.4170  -17.2240
            9   C1x C    24.8446  -20.9864
            10  C1x C    27.4987  -20.8814
            11  O7a O    28.6304  -16.5183
            12  C7a C    29.8436  -17.2124
            13  C2c C    31.0569  -16.5126
            14  O6a O    29.8378  -18.6182
            15  C2b C    32.2644  -17.2066
            16  C1b C    31.0510  -15.1067
            17  C1a C    32.2527  -18.6123
            18  C7a C    23.5254  -16.6239
            19  O6a O    22.3227  -17.3316
            20  C2c C    23.5139  -15.2283
            21  C1a C    24.7166  -14.5206
            22  C2b C    22.2995  -14.5405
            23  C1a C    21.0968  -15.2483
            24  O1a O    29.8395  -14.4140
BOND        25
            1     3   7 2
            2     3   8 1
            3     4   9 1
            4     4  10 1
            5     8  11 1
            6    11  12 1
            7    12  13 1
            8    12  14 2
            9    13  15 2
            10   13  16 1
            11   15  17 1
            12    6   9 1
            13    7  10 1
            14    5  18 1
            15    1   2 1
            16   18  19 2
            17    1   3 1
            18   18  20 1
            19    1   4 1
            20   20  21 1
            21    2   5 1 #Up
            22   20  22 2
            23    2   6 1
            24   22  23 1
            25   16  24 1

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