KEGG   COMPOUND: C12440Help
Entry
C12440                      Compound                               

Name
Trachelanthamidine
Formula
C8H15NO
Exact mass
141.1154
Mol weight
141.2108
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00960  Tropane, piperidine and pyridine alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Pyrrolizidine alkaloids
    C12440  Trachelanthamidine
BRITE hierarchy
Other DBs
CAS: 526-64-7
PubChem: 582830
ChEBI: 32249
3DMET: B04519
NIKKAJI: J8.644D
KCF data Show

ATOM        10
            1   C1x C    25.1798  -17.6430
            2   C1x C    24.3458  -18.7680
            3   C1x C    25.1578  -19.9090
            4   C1y C    26.4374  -18.0888
            5   N1y N    26.4873  -19.4846
            6   C1x C    27.8087  -19.9351
            7   C1x C    28.6450  -18.8176
            8   C1y C    27.8410  -17.6766
            9   C1b C    27.8278  -16.2677
            10  O1a O    29.0379  -15.5538
BOND        11
            1     2   3 1
            2     3   5 1
            3     4   5 1
            4     5   6 1
            5     6   7 1
            6     7   8 1
            7     8   4 1
            8     4   1 1
            9     8   9 1 #Down
            10    1   2 1
            11    9  10 1

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