| Entry |
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| Name |
Dihydrochelirubine;
13,14-Dihydro-5-methoxy-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine
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| Formula |
C21H17NO5
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| Exact mass |
363.1107
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| Mol weight |
363.36
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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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| Enzyme |
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| Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived from tyrosine
Isoquinoline alkaloids
C05194 Dihydrochelirubine
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 27
1 C8y C 25.3406 -19.4909
2 C8y C 24.0609 -20.1872
3 C8y C 26.5573 -20.2133
4 C8x C 25.3643 -18.0983
5 C8y C 24.1048 -21.5822
6 C8y C 22.9166 -19.4672
7 C8y C 27.7670 -19.5289
8 N1y N 26.5454 -21.6178
9 C8x C 26.5834 -17.4139
10 C1x C 25.3216 -22.3046
11 C8x C 21.6950 -20.1754
12 O2a O 22.8559 -18.0722
13 C8y C 27.7907 -18.1268
14 C8x C 28.9601 -20.2394
15 C1a C 27.7621 -22.3167
16 C1a C 21.7092 -17.3710
17 C8x C 28.9981 -17.4518
18 C8y C 30.1768 -19.5455
19 C8y C 30.2005 -18.1505
20 O2x O 31.4911 -20.0020
21 O2x O 31.5290 -17.7514
22 C1x C 32.3323 -18.8873
23 C8y C 22.8912 -22.2963
24 C8y C 21.6831 -21.5798
25 O2x O 20.6283 -22.5073
26 C1x C 21.1846 -23.7969
27 O2x O 22.5830 -23.6666
BOND 32
1 2 6 1
2 3 7 1
3 3 8 1
4 4 9 2
5 5 23 1
6 5 10 1
7 6 11 2
8 6 12 1
9 7 13 2
10 7 14 1
11 8 15 1
12 12 16 1
13 13 17 1
14 14 18 2
15 17 19 2
16 18 20 1
17 19 21 1
18 20 22 1
19 8 10 1
20 9 13 1
21 11 24 1
22 18 19 1
23 21 22 1
24 1 2 1
25 1 3 2
26 1 4 1
27 2 5 2
28 23 24 2
29 24 25 1
30 25 26 1
31 26 27 1
32 27 23 1
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