| Entry |
|
|---|
| Name |
(+)-Tetrandrine;
Tetrandrine
|
|---|
| Formula |
C38H42N2O6
|
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| Exact mass |
622.3043
|
|---|
| Mol weight |
622.7499
|
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| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00950 | Isoquinoline alkaloid biosynthesis |
| map01063 | Biosynthesis of alkaloids derived from shikimate pathway |
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived from tyrosine
Isoquinoline alkaloids
C09654 (+)-Tetrandrine
|
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| Other DBs |
|
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| KCF data |
ATOM 46
1 C8y C 27.3110 -13.8130
2 C8y C 28.4878 -14.4944
3 C1y C 26.1345 -14.4885
4 C8y C 27.3170 -12.4557
5 C8y C 29.6702 -13.8130
6 O2x O 27.1190 -17.7912
7 C1x C 26.1286 -15.8458
8 N1y N 24.9578 -13.8013
9 C8x C 28.4878 -11.7743
10 C1x C 26.1462 -11.7683
11 C8y C 29.6702 -12.4557
12 O2a O 30.8469 -14.4944
13 C8y C 28.4005 -18.4086
14 C8y C 24.9521 -16.5157
15 C1x C 24.9870 -12.4557
16 C1a C 23.7813 -14.4594
17 O2a O 30.8469 -11.7743
18 C1a C 32.0060 -13.8130
19 C8x C 28.4004 -19.7659
20 C8y C 29.4722 -17.6632
21 C8x C 24.9521 -17.8728
22 C8x C 23.7813 -15.8284
23 C1a C 32.0177 -12.4440
24 C8y C 29.6119 -20.3833
25 C8x C 30.7595 -18.2923
26 O2a O 29.4723 -16.3059
27 C8y C 23.7696 -18.5485
28 C8x C 22.5988 -16.5041
29 C8y C 30.7478 -19.6436
30 C1y C 29.6119 -21.7406
31 C1a C 30.7539 -15.6420
32 C8y C 22.5929 -17.8671
33 O2x O 23.8337 -19.9115
34 C1x C 31.9594 -20.2436
35 C1x C 28.5401 -22.4803
36 N1y N 30.8993 -22.3464
37 O2a O 21.4221 -18.5311
38 C8y C 24.9521 -20.5639
39 C1x C 32.0177 -21.5950
40 C8y C 27.3344 -21.8687
41 C1a C 30.9050 -23.6977
42 C1a C 21.4221 -19.8941
43 C8x C 26.1169 -19.8533
44 C8x C 24.9111 -21.9269
45 C8x C 27.3110 -20.5056
46 C8x C 26.1752 -22.5736
BOND 52
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 1 #Down
7 3 8 1
8 4 9 1
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 8 15 1
15 8 16 1
16 11 17 1
17 12 18 1
18 13 19 2
19 13 20 1
20 14 21 1
21 14 22 2
22 17 23 1
23 19 24 1
24 20 25 2
25 20 26 1
26 21 27 2
27 22 28 1
28 24 29 2
29 24 30 1
30 26 31 1
31 27 32 1
32 27 33 1
33 29 34 1
34 30 35 1 #Up
35 30 36 1
36 32 37 1
37 33 38 1
38 34 39 1
39 35 40 1
40 36 41 1
41 37 42 1
42 38 43 1
43 38 44 2
44 40 45 1
45 40 46 2
46 9 11 2
47 10 15 1
48 25 29 1
49 28 32 2
50 36 39 1
51 43 45 2
52 44 46 1
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