COMPOUND: C09170
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Entry
C09170 Compound
Name
Eseramine;
(3aS-cis)-3,3a,8,8a-Tetrahydro-N,3a,8-trimethyl-5-[[(methylamino)carbonyl]oxy]-pyrrolo[2,3-b]indole-1(2H)-carboxamide
Formula
C16H22N4O3
Exact mass
318.1692
Mol weight
318.37
Structure
Mol file
KCF file
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Brite
Phytochemical compounds [BR:
br08003
]
Alkaloids
Alkaloids derived from tryptophan and anthranilic acid
Pyrroloindole alkaloids
C09170 Eseramine
BRITE hierarchy
Other DBs
CAS:
6091-57-2
PubChem:
11362
ChEBI:
4854
KNApSAcK:
C00001725
NIKKAJI:
J12.769H
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KCF data
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ATOM 23
1 C8y C 24.3661 -17.0049
2 C8x C 24.3661 -18.4048
3 C8x C 25.5814 -19.1048
4 C8x C 25.5814 -16.3049
5 C8y C 26.7896 -17.0049
6 C8y C 26.7911 -18.4058
7 N1y N 28.1240 -18.8374
8 C1z C 28.1215 -16.5705
9 C1y C 28.9525 -17.7062
10 N1y N 30.2896 -17.2667
11 C1x C 30.2847 -15.8595
12 C1x C 28.9448 -15.4292
13 O7a O 23.1571 -16.3049
14 C7a C 21.9480 -16.9978
15 C5a C 31.4931 -17.9665
16 N1b N 20.7390 -16.2978
17 C1a C 19.5299 -16.9908
18 O6a O 22.0109 -18.3977
19 C1a C 28.4811 -20.1866
20 N1b N 32.7021 -17.2735
21 C1a C 33.9111 -17.9735
22 O5a O 31.4859 -19.3665
23 C1a C 27.4134 -15.3504
BOND 25
1 10 11 1
2 11 12 1
3 12 8 1
4 2 3 2
5 1 13 1
6 5 6 2
7 13 14 1
8 6 7 1
9 10 15 1
10 7 9 1
11 14 16 1
12 8 5 1
13 16 17 1
14 3 6 1
15 14 18 2
16 5 4 1
17 7 19 1
18 4 1 2
19 15 20 1
20 20 21 1
21 1 2 1
22 15 22 2
23 8 9 1
24 8 23 1 #Up
25 9 10 1
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