Entry |
|
Name |
Guattegaumerine;
N,N'-Dimethyllindoldhamine
|
Formula |
C36H40N2O6
|
Exact mass |
596.2886
|
Mol weight |
596.7126
|
Structure |
|
Reaction |
|
Pathway |
map00950 | Isoquinoline alkaloid biosynthesis |
|
Enzyme |
|
Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived from tyrosine
Isoquinoline alkaloids
C06511 Guattegaumerine
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Other DBs |
|
LinkDB |
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KCF data |
ATOM 44
1 C8y C 20.3927 -24.0585
2 C1y C 21.6012 -23.3592
3 C8y C 20.3865 -25.4573
4 C8x C 19.1779 -23.3529
5 C1b C 21.6073 -21.9542
6 N1y N 22.8158 -24.0646
7 C8x C 19.1779 -26.1627
8 C1x C 21.5890 -26.1689
9 C8y C 17.9631 -24.0585
10 C8y C 22.8221 -21.2671
11 C1x C 22.7852 -25.4573
12 C1a C 24.0306 -23.3837
13 C8y C 17.9631 -25.4573
14 O1a O 16.7485 -23.3529
15 C8x C 24.0306 -21.9727
16 C8x C 22.8281 -19.8623
17 O2a O 16.7485 -26.1627
18 C8y C 25.2514 -21.2733
19 C8x C 24.0429 -19.1628
20 C1a C 15.5400 -25.4695
21 O2a O 26.4540 -21.9787
22 C8y C 25.2575 -19.8744
23 C8y C 27.6625 -21.2856
24 O1a O 26.4660 -19.1813
25 C8x C 27.6686 -19.8867
26 C8x C 28.8771 -21.9972
27 C8x C 28.8894 -19.1873
28 C8x C 30.0919 -21.2977
29 C8y C 30.0979 -19.8929
30 C1b C 31.3127 -19.2058
31 C1y C 31.3188 -17.8008
32 C8y C 32.5273 -17.1015
33 N1y N 30.1102 -17.0954
34 C8y C 32.5335 -15.7027
35 C8x C 33.7421 -17.8071
36 C1x C 30.1348 -15.7027
37 C1a C 28.8894 -17.7763
38 C8x C 33.7421 -14.9973
39 C1x C 31.3310 -14.9911
40 C8y C 34.9569 -17.1015
41 C8y C 34.9569 -15.7027
42 O1a O 36.1715 -17.8071
43 O2a O 36.1715 -14.9973
44 C1a C 37.3800 -15.6905
BOND 49
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1 #Up
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 5 10 1
10 6 11 1
11 6 12 1
12 7 13 1
13 9 14 1
14 10 15 2
15 10 16 1
16 13 17 1
17 15 18 1
18 16 19 2
19 17 20 1
20 18 21 1
21 18 22 2
22 21 23 1
23 22 24 1
24 23 25 2
25 23 26 1
26 25 27 1
27 26 28 2
28 27 29 2
29 29 30 1
30 31 30 1 #Up
31 31 32 1
32 31 33 1
33 32 34 1
34 32 35 2
35 33 36 1
36 33 37 1
37 34 38 2
38 34 39 1
39 35 40 1
40 38 41 1
41 40 42 1
42 41 43 1
43 43 44 1
44 8 11 1
45 9 13 2
46 19 22 1
47 28 29 1
48 36 39 1
49 40 41 2
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