| Entry |
|
|---|
| Name |
Isochamaejasmin;
3,3''-Binaringenin
|
|---|
| Formula |
C30H22O10
|
|---|
| Exact mass |
542.1213
|
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| Mol weight |
542.49
|
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| Structure |
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1204 Biflavonoids and polyflavonoids
C09758 Isochamaejasmin
Phytochemical compounds [BR:br08003]
Flavonoids
Complex flavonoids
Biflavonoids and polyflavonoids
C09758 Isochamaejasmin
|
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| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 40
1 C1y C 24.6284 -16.0007
2 C1y C 22.8086 -14.6582
3 C1y C 24.6284 -17.3952
4 C5x C 25.8372 -15.3039
5 C1y C 22.8143 -13.2576
6 C5x C 21.5939 -15.3504
7 O2x O 25.8372 -18.0991
8 C8y C 27.0391 -16.0007
9 O5x O 25.8546 -14.0428
10 O2x O 21.6055 -12.5609
11 C8y C 20.3920 -14.6466
12 O5x O 21.5881 -16.4606
13 C8y C 27.0332 -17.3952
14 C8y C 28.2597 -15.3098
15 C8y C 20.3979 -13.2519
16 C8y C 19.1946 -15.3504
17 C8x C 28.2365 -18.1050
18 C8x C 29.4571 -16.0123
19 O1a O 28.2830 -14.0485
20 C8x C 19.1946 -12.5551
21 C8x C 17.9799 -14.6466
22 O1a O 19.2005 -16.5360
23 C8y C 29.4512 -17.4069
24 C8y C 17.9799 -13.2519
25 O1a O 30.6600 -18.1107
26 O1a O 16.7711 -12.5551
27 C8y C 24.0263 -12.5666
28 C8x C 25.2322 -13.2751
29 C8x C 24.0292 -11.1779
30 C8x C 26.4410 -12.5841
31 C8x C 25.2439 -10.4798
32 C8y C 26.4468 -11.1896
33 O1a O 27.6616 -10.4915
34 C8y C 23.4178 -18.0959
35 C8x C 22.2105 -17.3952
36 C8x C 23.4194 -19.4939
37 C8x C 20.9959 -18.0991
38 C8x C 22.2105 -20.1848
39 C8y C 21.0017 -19.4939
40 O1a O 19.7870 -20.1848
BOND 45
1 10 15 1
2 11 16 1
3 13 17 1
4 14 18 2
5 14 19 1
6 15 20 1
7 16 21 2
8 16 22 1
9 17 23 2
10 20 24 2
11 23 25 1
12 24 26 1
13 8 13 2
14 11 15 2
15 18 23 1
16 21 24 1
17 5 27 1 #Down
18 1 2 1
19 1 3 1
20 1 4 1
21 2 5 1
22 2 6 1
23 27 28 2
24 27 29 1
25 28 30 1
26 29 31 2
27 30 32 2
28 32 33 1
29 31 32 1
30 3 7 1
31 4 8 1
32 3 34 1 #Up
33 4 9 2
34 5 10 1
35 6 11 1
36 6 12 2
37 7 13 1
38 8 14 1
39 34 35 2
40 34 36 1
41 35 37 1
42 36 38 2
43 37 39 2
44 39 40 1
45 38 39 1
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