| Entry |
|
|---|
| Name |
Digiferrugineol;
1-Hydroxy-2-hydroxymethylanthraquinone
|
|---|
| Formula |
C15H10O4
|
|---|
| Exact mass |
254.0579
|
|---|
| Mol weight |
254.2375
|
|---|
| Structure |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1304 Anthracenes and phenanthrenes
C10327 Digiferrugineol
Phytochemical compounds [BR:br08003]
Polyketides
Anthraquinones
Anthraquinone type
C10327 Digiferrugineol
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 19
1 C8y C 26.5527 -17.1214
2 C8y C 26.5412 -18.5198
3 C5x C 25.3408 -16.4221
4 C8y C 27.7705 -16.4395
5 C5x C 25.3291 -19.2248
6 C8x C 27.7472 -19.2308
7 C8y C 24.1288 -17.1097
8 O5x O 25.3467 -15.0179
9 C8y C 28.9767 -17.1447
10 O1a O 27.7822 -15.0353
11 C8y C 24.1229 -18.5139
12 O5x O 25.3291 -20.6233
13 C8x C 28.9651 -18.5432
14 C8x C 22.9167 -16.4162
15 C1b C 30.1888 -16.4571
16 C8x C 22.9167 -19.2191
17 C8x C 21.6989 -17.1097
18 O1a O 31.4008 -17.1680
19 C8x C 21.6989 -18.5139
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 4 10 1
10 5 11 1
11 5 12 2
12 6 13 2
13 7 14 1
14 9 15 1
15 11 16 1
16 14 17 2
17 15 18 1
18 16 19 2
19 7 11 2
20 9 13 1
21 17 19 1
|
|---|
