| Entry |
|
|---|
| Name |
Chrysophanol;
Chrysophanic acid;
1,8-Dihydroxy-3-methylanthraquinone
|
|---|
| Formula |
C15H10O4
|
|---|
| Exact mass |
254.0579
|
|---|
| Mol weight |
254.2375
|
|---|
| Structure |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1304 Anthracenes and phenanthrenes
C10315 Chrysophanol
Phytochemical compounds [BR:br08003]
Polyketides
Anthraquinones
Anthraquinone type
C10315 Chrysophanol
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 19
1 C8y C 29.5100 -17.6450
2 C8y C 29.5217 -16.2463
3 C5x C 28.2977 -18.3501
4 C8x C 30.7104 -18.3618
5 C5x C 28.3094 -15.5469
6 C8y C 30.7397 -15.5644
7 C8y C 27.0856 -17.6391
8 O5x O 28.2920 -19.7488
9 C8y C 31.9285 -17.6683
10 C8y C 27.0913 -16.2404
11 O5x O 28.2453 -14.1425
12 C8x C 31.9461 -16.2696
13 O1a O 30.7513 -14.1599
14 C8x C 25.8909 -18.3444
15 C1a C 33.1406 -18.3851
16 C8y C 25.8909 -15.5412
17 C8x C 24.6728 -17.6391
18 C8x C 24.6728 -16.2404
19 O1a O 25.8909 -14.1425
BOND 21
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 5 11 2
11 6 12 2
12 6 13 1
13 7 14 1
14 9 15 1
15 10 16 1
16 14 17 2
17 16 18 2
18 16 19 1
19 7 10 2
20 9 12 1
21 17 18 1
|
|---|
