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