| Entry |
|
|---|
| Name |
Emodin 8-glucoside;
1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-9,10-anthraquinone
|
|---|
| Formula |
C21H20O10
|
|---|
| Exact mass |
432.1056
|
|---|
| Mol weight |
432.3775
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| Structure |
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1304 Anthracenes and phenanthrenes
C10345 Emodin 8-glucoside
Phytochemical compounds [BR:br08003]
Polyketides
Anthraquinones
Anthraquinone type
C10345 Emodin 8-glucoside
Glycosides [BR:br08021]
O-glycosides
Anthraquinone glycosides
C10345 Emodin 8-glucoside
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 31
1 C8y C 26.5673 -19.6007
2 C8y C 26.6316 -21.0050
3 C8y C 25.3611 -18.9072
4 C5x C 27.7852 -18.9072
5 C5x C 27.7735 -21.7100
6 C8x C 25.3611 -21.7043
7 O2a O 25.3611 -17.5030
8 C8x C 24.1432 -19.6007
9 C8y C 28.9971 -19.6124
10 O5x O 27.7911 -17.5087
11 C8y C 28.9856 -21.0107
12 O5x O 27.7735 -23.1144
13 C8y C 24.1432 -21.0050
14 C1y C 24.1432 -16.7921
15 C8y C 30.2150 -18.9248
16 C8x C 30.1917 -21.7217
17 O1a O 22.9254 -21.7100
18 O2x O 24.1316 -15.3936
19 C1y C 22.9313 -17.5030
20 C8x C 31.4155 -19.6356
21 O1a O 30.2267 -17.5263
22 C8y C 31.3979 -21.0283
23 C1y C 22.9137 -14.7002
24 C1y C 21.7134 -16.8037
25 O1a O 22.9370 -18.9015
26 C1a C 32.6100 -21.7450
27 C1y C 21.7075 -15.4052
28 C1b C 22.9080 -13.3017
29 O1a O 20.5072 -17.5146
30 O1a O 20.4956 -14.7119
31 O1a O 21.6979 -12.6095
BOND 34
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 4 10 2
10 5 11 1
11 5 12 2
12 6 13 2
13 14 7 1 #Up
14 9 15 1
15 11 16 1
16 13 17 1
17 14 18 1
18 14 19 1
19 15 20 2
20 15 21 1
21 16 22 2
22 18 23 1
23 19 24 1
24 19 25 1 #Down
25 22 26 1
26 23 27 1
27 23 28 1 #Up
28 24 29 1 #Up
29 27 30 1 #Down
30 8 13 1
31 9 11 2
32 20 22 1
33 24 27 1
34 28 31 1
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