| Entry |
|
|---|
| Name |
Calophyllin B;
6-(3,3-Dimethylallyl)-1,5-dihydroxyxanthone
|
|---|
| Formula |
C18H16O4
|
|---|
| Exact mass |
296.1049
|
|---|
| Mol weight |
296.32
|
|---|
| Structure |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1306 Dibenzofurans, griseofulvins, dibenzopyrans and xanthones
C10054 Calophyllin B
C10054 Calophyllin B
Phytochemical compounds [BR:br08003]
Polyketides
Pyrones
Xanthenes
C10054 Calophyllin B
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 22
1 C8y C 23.6719 -16.9861
2 C8y C 23.6893 -15.5871
3 C8y C 22.4651 -17.6857
4 C8x C 24.8787 -17.6973
5 O2x O 22.4767 -14.8815
6 C8y C 24.9077 -14.9049
7 C8y C 21.2525 -16.9803
8 O5x O 22.4593 -19.0908
9 C8x C 26.0971 -17.0094
10 C8y C 21.2583 -15.5754
11 C8y C 26.1088 -15.6102
12 O1a O 24.9194 -13.4999
13 C8y C 20.0458 -17.6799
14 C8x C 20.0458 -14.8815
15 C1b C 27.3096 -14.9049
16 C8x C 18.8273 -16.9803
17 O1a O 20.0515 -19.0848
18 C8x C 18.8273 -15.5754
19 C2b C 28.5223 -15.5986
20 C2c C 29.7349 -14.8991
21 C1a C 30.9474 -15.5928
22 C1a C 29.7291 -13.4999
BOND 24
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 2
9 5 10 1
10 6 11 2
11 6 12 1
12 7 13 1
13 10 14 1
14 11 15 1
15 13 16 2
16 13 17 1
17 14 18 2
18 15 19 1
19 19 20 2
20 20 21 1
21 20 22 1
22 7 10 2
23 9 11 1
24 16 18 1
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|---|
