COMPOUND: C10665
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Entry
C10665 Compound
Name
Echinorine;
Quinolinium, 4-methoxy-1-methyl-
Formula
C11H12NO
Exact mass
174.0919
Mol weight
174.2191
Structure
Mol file
KCF file
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Brite
Phytochemical compounds [BR:
br08003
]
Alkaloids
Alkaloids derived from tryptophan and anthranilic acid
Quinoline alkaloids
C10665 Echinorine
BRITE hierarchy
Other DBs
CAS:
18095-64-2
PubChem:
12848
ChEBI:
4750
KNApSAcK:
C00002155
3DMET:
B04041
NIKKAJI:
J13.375B
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KCF data
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ATOM 13
1 C8x C 24.2542 -17.3656
2 C8x C 24.2542 -18.7671
3 C8x C 25.4716 -19.4643
4 C8x C 25.4716 -16.6615
5 C8y C 26.6821 -17.3656
6 C8y C 26.6761 -18.7671
7 N5y N 27.8876 -19.4693 #+
8 C8x C 29.0983 -18.7774
9 C8x C 29.1042 -17.3759
10 C8y C 27.8996 -16.6666
11 O2a O 27.9580 -15.2600
12 C1a C 27.8738 -20.8657
13 C1a C 26.6746 -14.5728
BOND 14
1 3 6 1
2 5 4 1
3 4 1 2
4 5 6 2
5 6 7 1
6 7 8 2
7 8 9 1
8 9 10 2
9 10 5 1
10 10 11 1
11 1 2 1
12 7 12 1
13 2 3 2
14 11 13 1
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