KEGG   COMPOUND: C10348
Entry
C10348                      Compound                               

Name
Macrophylline
Formula
C13H21NO3
Exact mass
239.1521
Mol weight
239.3107
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Pyrrolizidine alkaloids
    C10348  Macrophylline
Other DBs
CAS: 27841-97-0
PubChem: 12534
ChEBI: 6627
KNApSAcK: C00002100
3DMET: B03763
NIKKAJI: J17.701F
KCF data

ATOM        17
            1   C1y C    24.6873  -18.7598
            2   C1y C    26.0054  -18.2817
            3   N1y N    24.7340  -20.1593
            4   C1x C    23.3344  -18.3865
            5   C1y C    26.8683  -19.3895
            6   C1b C    25.9994  -16.8821
            7   C1x C    26.0811  -20.5442
            8   C1x C    23.4278  -20.6492
            9   C1x C    22.5589  -19.5529
            10  O1a O    28.2679  -19.3838
            11  O7a O    27.2125  -16.1823
            12  C7a C    28.4253  -16.8705
            13  C2c C    29.6324  -16.1764
            14  O6a O    28.4137  -18.2758
            15  C2b C    30.8453  -16.8645
            16  C1a C    29.6265  -14.7711
            17  C1a C    30.8396  -18.2700
BOND        18
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1 #Up
            10    6  11 1
            11   11  12 1
            12   12  13 1
            13   12  14 2
            14   13  15 2
            15   13  16 1
            16   15  17 1
            17    5   7 1
            18    8   9 1

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