| Entry |
|
|---|
| Name |
Chrysophanic acid 9-anthrone;
Chrysophanol anthrone;
Chrysarobin
|
|---|
| Formula |
C15H12O3
|
|---|
| Exact mass |
240.0786
|
|---|
| Mol weight |
240.25
|
|---|
| Structure |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1304 Anthracenes and phenanthrenes
C10314 Chrysophanic acid 9-anthrone
Phytochemical compounds [BR:br08003]
Polyketides
Anthraquinones
Anthrone type
C10314 Chrysarobin
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 18
1 C8y C 29.4930 -18.3804
2 C8y C 29.5046 -16.9809
3 C1x C 28.2801 -19.0744
4 C8x C 30.7000 -19.0861
5 C5x C 28.2918 -16.2696
6 C8y C 30.7234 -16.2870
7 C8y C 27.0671 -18.3687
8 C8y C 31.9188 -18.3980
9 C8y C 27.0731 -16.9692
10 O5x O 28.2975 -14.8701
11 C8x C 31.9304 -17.0042
12 O1a O 30.7350 -14.8875
13 C8x C 25.8717 -19.0685
14 C1a C 33.1259 -19.1094
15 C8y C 25.8717 -16.2637
16 C8x C 24.6532 -18.3687
17 C8x C 24.6532 -16.9692
18 O1a O 25.8717 -14.8642
BOND 20
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 4 8 2
8 5 9 1
9 5 10 2
10 6 11 2
11 6 12 1
12 7 13 1
13 8 14 1
14 9 15 1
15 13 16 2
16 15 17 2
17 15 18 1
18 7 9 2
19 8 11 1
20 16 17 1
|
|---|
