| Entry |
|
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| Name |
12-Hydroxydihydrochelirubine;
12-Hydroxychelirubine
|
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| Formula |
C21H17NO6
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| Exact mass |
379.1056
|
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| Mol weight |
379.3628
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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
C05193 12-Hydroxydihydrochelirubine
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 28
1 C8y C 25.3147 -20.1713
2 C8y C 24.1051 -20.8676
3 C8y C 26.5315 -20.8938
4 C8x C 25.3384 -18.7787
5 C8y C 24.0790 -22.2627
6 C8y C 22.8907 -20.1476
7 C8y C 27.7411 -20.2093
8 N1y N 26.5195 -22.2983
9 C8y C 26.5576 -18.0942
10 C1x C 25.2957 -22.9851
11 C8x C 21.5991 -20.8558
12 O2a O 22.9001 -18.7526
13 C8y C 27.6949 -18.8072
14 C8x C 28.9343 -20.9199
15 C1a C 27.7364 -22.9971
16 C1a C 21.6832 -18.0513
17 C8x C 28.9722 -18.1322
18 C8y C 30.1510 -20.2259
19 C8y C 30.1747 -18.8309
20 O2x O 31.4653 -20.6824
21 O2x O 31.5033 -18.4317
22 C1x C 32.3066 -19.5677
23 C8y C 22.8651 -22.9768
24 C8y C 21.6571 -22.2603
25 O2x O 20.6023 -23.1878
26 C1x C 21.1587 -24.4774
27 O2x O 22.5572 -24.3471
28 O1a O 26.5729 -16.6958
BOND 33
1 3 7 1
2 3 8 1
3 4 9 2
4 5 23 1
5 5 10 1
6 6 11 2
7 6 12 1
8 7 13 2
9 7 14 1
10 8 15 1
11 12 16 1
12 13 17 1
13 14 18 2
14 17 19 2
15 18 20 1
16 19 21 1
17 20 22 1
18 8 10 1
19 9 13 1
20 11 24 1
21 18 19 1
22 21 22 1
23 1 2 1
24 1 3 2
25 1 4 1
26 2 5 2
27 23 24 2
28 24 25 1
29 25 26 1
30 26 27 1
31 27 23 1
32 2 6 1
33 9 28 1
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