KEGG   COMPOUND: C06546
Entry
C06546                      Compound                               
Name
Mescaline
Formula
C11H17NO3
Exact mass
211.1208
Mol weight
211.2576
Structure
Reaction
R08444
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01063  Biosynthesis of alkaloids derived from shikimate pathway
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Tyramine derivatives
    C06546  Mescaline
Narcotics and psychotropics in Japan [br08308.html]
 Narcotics by Cabinet Order Article 1 (157 substances)
  C06546
Other DBs
CAS: 54-04-6
PubChem: 8776
ChEBI: 28346
KNApSAcK: C00001419
3DMET: B02067
NIKKAJI: J4.150E
LinkDB
KCF data

ATOM        15
            1   C8y C    24.2200  -18.9000
            2   C8y C    25.4100  -19.6000
            3   C8y C    24.2200  -17.5000
            4   O2a O    22.9600  -19.6000
            5   C8x C    26.6000  -18.9000
            6   O2a O    25.4100  -21.0000
            7   C8x C    25.4100  -16.8000
            8   O2a O    22.9600  -16.8000
            9   C1a C    22.9600  -21.0000
            10  C8y C    26.6000  -17.5000
            11  C1a C    26.6000  -21.7000
            12  C1a C    21.7700  -17.5000
            13  C1b C    27.8600  -16.8000
            14  C1b C    29.0500  -17.5000
            15  N1a N    30.2400  -16.8000
BOND        15
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    6  11 1
            11    8  12 1
            12   10  13 1
            13   13  14 1
            14   14  15 1
            15    7  10 1

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