| Entry |
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| Name |
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| Formula |
C18H22O11
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| Exact mass |
414.1162
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| Mol weight |
414.36
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| Structure |
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| Reaction |
|
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| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
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| Brite |
Phytochemical compounds [BR:br08003]
Terpenoids
Monoterpenoids (C10)
Iridoids
C09769 Asperuloside
Glycosides [BR:br08021]
O-glycosides
Iridoid glycosides
C09769 Asperuloside
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 29
1 O2a O 28.4074 -18.4350
2 C1y C 27.3135 -19.4928
3 O2x O 26.1343 -18.8222
4 C1y C 27.3246 -20.8558
5 C1y C 24.9656 -19.5002
6 C1y C 26.1430 -21.5332
7 O1a O 28.5012 -21.5315
8 C1y C 24.9665 -20.8575
9 C1b C 23.7932 -18.8296
10 O1a O 26.1481 -22.9064
11 O1a O 23.7991 -21.5458
12 O1a O 22.6121 -19.5123
13 C1y C 27.2333 -16.1178
14 C1y C 27.2333 -14.7554
15 C1y C 28.4027 -16.7867
16 C2y C 25.9340 -16.5375
17 C1y C 25.9400 -14.3297
18 C2y C 28.4027 -14.0734
19 O2x O 29.5733 -16.1178
20 C2x C 25.1306 -15.4243
21 O7x O 26.2895 -12.7282
22 C7x C 27.9025 -12.7580
23 C2x C 29.5733 -14.7612
24 O6a O 28.6462 -11.6282
25 C1b C 24.6876 -17.2200
26 O7a O 23.4751 -16.5200
27 C7a C 22.2627 -17.2200
28 C1a C 21.0503 -16.5200
29 O6a O 22.2627 -18.6200
BOND 32
1 5 9 1 #Up
2 6 10 1 #Up
3 8 11 1 #Down
4 6 8 1
5 9 12 1
6 2 1 1 #Up
7 2 3 1
8 2 4 1
9 13 14 1
10 13 15 1
11 13 16 1
12 14 17 1
13 14 18 1
14 15 19 1
15 16 20 2
16 17 21 1
17 18 22 1
18 18 23 2
19 22 24 2
20 17 20 1
21 19 23 1
22 21 22 1
23 15 1 1 #Up
24 3 5 1
25 4 6 1
26 4 7 1 #Down
27 5 8 1
28 16 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 27 29 2
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