| Entry |
|
|---|
| Name |
Xanthohumol;
(2E)-1-[2,4-Dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
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|---|
| Formula |
C21H22O5
|
|---|
| Exact mass |
354.1467
|
|---|
| Mol weight |
354.40
|
|---|
| Structure |
|
|---|
| Reaction |
|
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| Pathway |
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| Enzyme |
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1212 Chalcones and dihydrochalcones
C16417 Xanthohumol
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Chalcones
C16417 Xanthohumol
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 26
1 C8y C 25.8372 -16.3181
2 C8y C 25.8372 -17.7187
3 C8y C 27.0978 -18.4191
4 C8y C 28.2884 -17.7187
5 C8y C 28.2884 -16.3181
6 C8x C 27.0978 -15.6177
7 O1a O 24.6466 -15.6177
8 O2a O 29.5490 -15.6177
9 O1a O 27.0978 -19.8198
10 C5a C 29.5490 -18.4191
11 C2b C 30.7396 -17.7187
12 O5a O 29.5490 -19.8198
13 C1b C 24.6466 -18.4191
14 C2b C 23.4560 -17.7187
15 C2c C 22.2654 -18.4191
16 C1a C 21.0748 -17.7187
17 C1a C 22.2654 -19.8198
18 C2b C 31.9467 -18.4026
19 C8y C 33.1302 -17.7062
20 C8x C 34.3346 -18.3885
21 C8x C 35.5413 -17.6787
22 C8y C 35.5299 -16.2787
23 C8x C 34.3256 -15.5964
24 C8x C 33.1189 -16.3063
25 O1a O 36.7446 -15.5639
26 C1a C 30.7397 -16.3316
BOND 27
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 1 7 1
8 5 8 1
9 3 9 1
10 4 10 1
11 10 11 1
12 10 12 2
13 2 13 1
14 13 14 1
15 14 15 2
16 15 16 1
17 15 17 1
18 11 18 2
19 18 19 1
20 19 20 2
21 20 21 1
22 21 22 2
23 22 23 1
24 23 24 2
25 19 24 1
26 22 25 1
27 8 26 1
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