| Entry |
|
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| Name |
Gentiopicrin;
Gentiopicroside
|
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| Formula |
C16H20O9
|
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| Exact mass |
356.1107
|
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| Mol weight |
356.3246
|
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| Structure |
|
|---|
| Reaction |
|
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| Pathway |
| map01066 | Biosynthesis of alkaloids derived from terpenoid and polyketide |
| map01110 | Biosynthesis of secondary metabolites |
|
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| Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0102 C10 isoprenoids (monoterpenes)
PR010207 Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids
C09782 Gentiopicrin
Phytochemical compounds [BR:br08003]
Terpenoids
Monoterpenoids (C10)
Secoiridoids
C09782 Gentiopicrin
Dietary phytochemicals [br08012.html]
Other phytochemicals
C09782
|
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| Other DBs |
|
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| KCF data |
ATOM 25
1 O2a O 29.0297 -21.5700
2 C1y C 27.5425 -22.5310
3 O2x O 26.3308 -21.8689
4 C1y C 27.5052 -23.9103
5 C1y C 25.1562 -22.5711
6 C1y C 26.3832 -24.6270
7 O1a O 28.7850 -24.5822
8 C1y C 25.1111 -23.9527
9 C1b C 23.9516 -21.9019
10 O1a O 26.4131 -26.0113
11 O1a O 23.9942 -24.6722
12 O1a O 22.7708 -22.6161
13 C2y C 27.8534 -17.9719
14 C1y C 27.8477 -19.3508
15 C2y C 29.0528 -17.2848
16 C2x C 26.6613 -17.2848
17 C1y C 29.0469 -20.0368
18 C2b C 26.6554 -20.0309
19 C2x C 30.2450 -17.9836
20 C7x C 29.0528 -15.9001
21 C1x C 26.6613 -15.9001
22 O2x O 30.2392 -19.3625
23 C2a C 25.4562 -19.3449
24 O7x O 27.8594 -15.2201
25 O6a O 30.2509 -15.2201
BOND 27
1 2 1 1 #Up
2 2 3 1
3 2 4 1
4 3 5 1
5 4 6 1
6 4 7 1 #Down
7 5 8 1
8 5 9 1 #Up
9 6 10 1 #Up
10 8 11 1 #Down
11 6 8 1
12 9 12 1
13 13 14 1
14 13 15 1
15 13 16 2
16 14 17 1
17 14 18 1 #Down
18 15 19 2
19 15 20 1
20 16 21 1
21 17 22 1
22 18 23 2
23 20 24 1
24 20 25 2
25 19 22 1
26 21 24 1
27 17 1 1 #Up
|
|---|
