| Entry |
|
|---|
| Name |
Dihydrosanguinarine;
13,14-Dihydro-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine
|
|---|
| Formula |
C20H15NO4
|
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| Exact mass |
333.1001
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| Mol weight |
333.34
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| Structure |
|
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| Reaction |
|
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| Pathway |
| map00950 | Isoquinoline alkaloid biosynthesis |
| map01110 | Biosynthesis of secondary metabolites |
|
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| Module |
| M00945 | Sanguinarine biosynthesis, (S)-reticuline => sanguinarine |
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| Enzyme |
|
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| Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived from tyrosine
Isoquinoline alkaloids
C05191 Dihydrosanguinarine
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| Other DBs |
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| KCF data |
ATOM 25
1 C8y C 25.3170 -19.5182
2 C8y C 24.1073 -20.2144
3 C8y C 26.5337 -20.2406
4 C8x C 25.3406 -18.1256
5 C8y C 24.0812 -21.6094
6 C8x C 22.8930 -19.4944
7 C8y C 27.7434 -19.5561
8 N1y N 26.5218 -21.6450
9 C8x C 26.5598 -17.4411
10 C1x C 25.2979 -22.3318
11 C8x C 21.6015 -20.2026
12 C8y C 27.6969 -18.1540
13 C8x C 28.9363 -20.2667
14 C1a C 27.7384 -22.3438
15 C8x C 28.9744 -17.4791
16 C8y C 30.1531 -19.5727
17 C8y C 30.1767 -18.1778
18 O2x O 31.4672 -20.0292
19 O2x O 31.5054 -17.7786
20 C1x C 32.3084 -18.9146
21 C8y C 22.8676 -22.3235
22 C8y C 21.6596 -21.6070
23 O2x O 20.6048 -22.5345
24 C1x C 21.1611 -23.8241
25 O2x O 22.5595 -23.6937
BOND 30
1 2 6 1
2 3 7 1
3 3 8 1
4 4 9 2
5 5 21 1
6 5 10 1
7 6 11 2
8 7 12 2
9 7 13 1
10 8 14 1
11 12 15 1
12 13 16 2
13 15 17 2
14 16 18 1
15 17 19 1
16 18 20 1
17 8 10 1
18 9 12 1
19 11 22 1
20 16 17 1
21 19 20 1
22 1 2 1
23 1 3 2
24 1 4 1
25 2 5 2
26 21 22 2
27 22 23 1
28 23 24 1
29 24 25 1
30 25 21 1
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