COMPOUND: C10670
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Entry
C10670 Compound
Name
Evoxine;
2,3-Butanediol, 1-((4,8-dimethoxyfuro(2,3-b)quinolin-7-yl)oxy)-3-methyl-, (+)-
Formula
C18H21NO6
Exact mass
347.1369
Mol weight
347.3624
Structure
Mol file
KCF file
DB search
Brite
Phytochemical compounds [BR:
br08003
]
Alkaloids
Alkaloids derived from tryptophan and anthranilic acid
Quinoline alkaloids
C10670 Evoxine
BRITE hierarchy
Other DBs
CAS:
522-11-2
PubChem:
12853
ChEBI:
4952
KNApSAcK:
C00002158
3DMET:
B05462
NIKKAJI:
J11.707B
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KCF data
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ATOM 25
1 N5x N 29.8575 -19.1209
2 C8y C 29.8575 -16.3176
3 C8y C 28.6470 -17.0149
4 C8y C 28.6529 -18.4166
5 C8y C 27.4411 -19.1261
6 C8y C 26.2233 -18.4270
7 C8x C 26.2174 -17.0252
8 C8x C 27.4292 -16.3229
9 C8y C 31.0682 -18.4166
10 C8y C 31.0642 -17.0121
11 C8x C 32.3989 -16.5763
12 C8x C 33.2306 -17.7116
13 O2x O 32.4057 -18.8516
14 O2a O 25.0180 -19.1280
15 C1b C 23.8065 -18.4236
16 C1c C 22.5949 -19.1280
17 C1d C 21.3836 -18.4236
18 C1a C 20.1791 -19.1280
19 O2a O 27.4480 -20.5155
20 C1a C 28.6594 -21.2059
21 O2a O 29.8638 -14.9230
22 C1a C 28.6524 -14.2186
23 O1a O 22.6020 -20.5297
24 C1a C 21.3205 -17.0220
25 O1a O 20.1791 -17.7193
BOND 27
1 10 11 1
2 11 12 2
3 12 13 1
4 13 9 1
5 3 4 2
6 6 14 1
7 4 5 1
8 14 15 1
9 5 6 2
10 15 16 1
11 6 7 1
12 16 17 1
13 7 8 2
14 17 18 1
15 8 3 1
16 5 19 1
17 9 1 2
18 19 20 1
19 1 4 1
20 2 21 1
21 3 2 1
22 21 22 1
23 2 10 2
24 16 23 1
25 17 24 1
26 9 10 1
27 17 25 1
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