| Entry |
|
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| Name |
Silymarin;
Silibinin;
Silybin
|
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| Formula |
C25H22O10
|
|---|
| Exact mass |
482.1213
|
|---|
| Mol weight |
482.4362
|
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| Structure |
|
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| Remark |
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1214 Flavanones
C07610 Silymarin
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Dihyroflavonols
C07610 Silymarin
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A05 BILE AND LIVER THERAPY
A05B LIVER THERAPY, LIPOTROPICS
A05BA Liver therapy
A05BA03 Silymarin
D08515 Silibinin (INN)
|
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| Other DBs |
|
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| KCF data |
ATOM 35
1 C1y C 30.6977 -27.3124
2 C8y C 31.9100 -28.0234
3 C1y C 30.7036 -25.9080
4 O2x O 29.4797 -28.0117
5 C8x C 33.1163 -27.3183
6 C8x C 31.8924 -29.4220
7 O2x O 29.4914 -25.2086
8 C1b C 31.9100 -25.2029
9 C8y C 28.2677 -27.3007
10 C8y C 34.3284 -28.0293
11 C8x C 33.1046 -30.1213
12 C8y C 28.2734 -25.9021
13 O1a O 33.1221 -25.9021
14 C8x C 27.0613 -28.0059
15 C8y C 34.3226 -29.4337
16 O2a O 35.5464 -27.3299
17 C8x C 27.0613 -25.2029
18 C8y C 25.8550 -27.3007
19 O1a O 35.5347 -30.1330
20 C1a C 36.7468 -28.0350
21 C8x C 25.8550 -25.9021
22 C1y C 24.6370 -28.0059
23 O2x O 23.4249 -27.3007
24 C1y C 24.6429 -29.4046
25 C8y C 22.2127 -28.0117
26 C5x C 23.4307 -30.1038
27 O1a O 25.8550 -30.0980
28 C8y C 22.2127 -29.4046
29 C8x C 21.0006 -27.3066
30 O5x O 23.4307 -31.5024
31 C8y C 21.0064 -30.0980
32 C8y C 19.7943 -28.0117
33 C8x C 19.7943 -29.4046
34 O1a O 21.0064 -31.5024
35 O1a O 18.5763 -27.3066
BOND 39
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 6 11 2
11 7 12 1
12 8 13 1
13 9 14 1
14 10 15 2
15 10 16 1
16 12 17 1
17 14 18 2
18 15 19 1
19 16 20 1
20 17 21 2
21 18 22 1
22 22 23 1
23 22 24 1
24 23 25 1
25 24 26 1
26 24 27 1
27 25 28 2
28 25 29 1
29 26 30 2
30 28 31 1
31 29 32 2
32 31 33 2
33 31 34 1
34 32 35 1
35 9 12 2
36 11 15 1
37 18 21 1
38 26 28 1
39 32 33 1
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