KEGG   COMPOUND: C10575
Entry
C10575                      Compound                               

Name
Candicine;
Ammonium, (p-hydroxyphenethyl)trimethyl-
Formula
C11H18NO
Exact mass
180.1388
Mol weight
180.2667
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Tyramine derivatives
    C10575  Candicine
Other DBs
CAS: 6656-13-9
PubChem: 12758
ChEBI: 3350
ChEMBL: CHEMBL1186075
KNApSAcK: C00002319
3DMET: B03969
NIKKAJI: J13.637I
KCF data

ATOM        13
            1   N1d N    29.7178  -16.8300 #+
            2   C1b C    28.5056  -17.5293
            3   C1a C    30.9298  -17.6751
            4   C1a C    28.7155  -15.8394
            5   C1a C    31.2685  -15.6294
            6   C1b C    27.2936  -16.8241
            7   C8y C    26.0873  -17.5176
            8   C8x C    26.0873  -18.9220
            9   C8x C    24.8868  -16.8184
            10  C8x C    24.8868  -19.6213
            11  C8x C    23.6691  -17.5176
            12  C8y C    23.6691  -18.9220
            13  O1a O    22.4511  -19.6096
BOND        13
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     6   7 1
            7     7   8 2
            8     7   9 1
            9     8  10 1
            10    9  11 2
            11   10  12 2
            12   12  13 1
            13   11  12 1

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