| Entry |
|
|---|
| Name |
|
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| Formula |
C20H18NO4
|
|---|
| Exact mass |
336.1236
|
|---|
| Mol weight |
336.3612
|
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| Structure |
|
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| Remark |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00950 | Isoquinoline alkaloid biosynthesis |
| map01063 | Biosynthesis of alkaloids derived from shikimate pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Enzyme |
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|---|
| Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived from tyrosine
Isoquinoline alkaloids
C00757 Berberine
Risk category of Japanese OTC drugs [BR:br08312]
Second-class OTC drugs
Inorganic and organic chemicals
Berberine
C00757 Berberine
Third-class OTC drugs
Inorganic and organic chemicals
Coptis rhizome
C00757 Berberine
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 25
1 C8y C 23.1048 -11.2046
2 C8y C 23.1048 -12.6055
3 C8x C 24.3179 -13.3059
4 C8y C 25.5311 -12.6055
5 C8y C 25.5311 -11.2046
6 C8x C 24.3179 -10.5042
7 C8y C 26.7443 -13.3059
8 N5y N 27.9574 -12.6055 #+
9 C1x C 27.9574 -11.2046
10 C1x C 26.7443 -10.5042
11 C8x C 26.7443 -14.7068
12 C8y C 27.9574 -15.4072
13 C8y C 29.1707 -14.7068
14 C8x C 29.1707 -13.3059
15 C8x C 27.9574 -16.8081
16 C8x C 29.1707 -17.5085
17 C8y C 30.3838 -16.8081
18 C8y C 30.3838 -15.4072
19 O2x O 21.7724 -10.7718
20 C1x C 20.9490 -11.9051
21 O2x O 21.7724 -13.0384
22 O2a O 31.6011 -14.7045
23 C1a C 32.7993 -15.3964
24 O2a O 31.6011 -17.5108
25 C1a C 32.7993 -16.8189
BOND 29
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 7 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 8 14 2
17 12 15 1
18 15 16 2
19 16 17 1
20 17 18 2
21 13 18 1
22 1 19 1
23 19 20 1
24 20 21 1
25 2 21 1
26 18 22 1
27 22 23 1
28 17 24 1
29 24 25 1
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