| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C20H20O11
|
|---|
| Exact mass |
436.1006
|
|---|
| Mol weight |
436.3662
|
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| Structure |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1306 Dibenzofurans, griseofulvins, dibenzopyrans and xanthones
C10067 Irisxanthone
Phytochemical compounds [BR:br08003]
Polyketides
Pyrones
Xanthenes
C10067 Irisxanthone
Glycosides [BR:br08021]
C-glycosides
C10067 Irisxanthone
|
|---|
| Other DBs |
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| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 C8y C 26.0542 -16.2835
2 C8y C 26.0599 -14.8857
3 C8y C 24.8544 -16.9824
4 C8y C 27.2655 -16.9882
5 O2x O 27.2772 -14.1867
6 C8x C 24.8544 -14.1808
7 C8y C 23.6371 -16.2835
8 O1a O 24.8544 -18.3801
9 C8y C 28.4771 -16.2893
10 O5x O 27.2655 -18.3860
11 C8y C 28.4888 -14.8914
12 C8y C 23.6371 -14.8857
13 C1y C 22.4199 -16.9824
14 C8x C 29.6711 -16.9941
15 C8y C 29.7001 -14.2041
16 O1a O 22.4199 -14.1808
17 O2x O 21.2026 -16.2835
18 C1y C 22.4199 -18.3860
19 C8x C 30.9584 -16.3126
20 C8y C 30.9058 -14.9147
21 O2a O 29.7118 -12.8005
22 C1y C 19.9910 -16.9824
23 C1y C 21.2026 -19.0907
24 O1a O 23.6371 -19.0850
25 O1a O 32.1231 -14.2217
26 C1a C 30.9291 -12.1133
27 C1y C 19.9910 -18.3860
28 C1b C 18.7796 -16.2893
29 O1a O 21.2083 -20.4945
30 O1a O 18.7796 -19.0907
31 O1a O 17.5623 -16.9882
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 2
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 1
11 6 12 2
12 13 7 1 #Up
13 9 14 1
14 11 15 1
15 12 16 1
16 13 17 1
17 13 18 1
18 14 19 2
19 15 20 2
20 15 21 1
21 17 22 1
22 18 23 1
23 18 24 1 #Down
24 20 25 1
25 21 26 1
26 22 27 1
27 22 28 1 #Up
28 23 29 1 #Up
29 27 30 1 #Down
30 28 31 1
31 7 12 1
32 9 11 2
33 19 20 1
34 23 27 1
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