| Entry |
|
|---|
| Name |
(13S)-13-Dihydrodaunorubicin;
Daunorubicinol;
13-Dihydrodaunorubicin
|
|---|
| Formula |
C27H31NO10
|
|---|
| Exact mass |
529.1948
|
|---|
| Mol weight |
529.5357
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01057 | Biosynthesis of type II polyketide products |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1305 Anthracyclinones
C12433 (13S)-13-Dihydrodaunorubicin
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 38
1 C8y C 25.2000 -13.7200
2 C8y C 25.2000 -15.1200
3 C8y C 24.0100 -13.0900
4 C1x C 26.3900 -13.0200
5 C1y C 26.4600 -15.8200
6 C8y C 24.0100 -15.8200
7 C8y C 22.8200 -13.7900
8 O1a O 24.0100 -11.6900
9 C1z C 27.6500 -13.7200
10 C1x C 27.6500 -15.1200
11 O2a O 26.3900 -17.4300
12 C8y C 22.8200 -15.1900
13 O1a O 24.0100 -17.2200
14 C5x C 21.6300 -13.0900
15 C1y C 28.0000 -18.2700
16 C5x C 21.6300 -15.8200
17 C8y C 20.4400 -13.7900
18 O5x O 21.6300 -11.7600
19 C1x C 28.0000 -19.6000
20 O2x O 29.1900 -17.5700
21 C8y C 20.4400 -15.1900
22 O5x O 21.6300 -17.2200
23 C8x C 19.1800 -13.0900
24 C1y C 29.1900 -20.3000
25 C1y C 30.3100 -18.2700
26 C8y C 19.1800 -15.8200
27 C8x C 18.0600 -13.7900
28 C1y C 30.3100 -19.6000
29 N1a N 29.1900 -21.6300
30 C1a C 31.5000 -17.5700
31 C8x C 18.0600 -15.1900
32 O2a O 19.1800 -17.2200
33 O1a O 31.5000 -20.3000
34 C1a C 18.0600 -17.8500
35 C1c C 28.8566 -13.0100
36 C1a C 30.0663 -13.6953
37 O1a O 28.8566 -11.6100
38 O1a O 28.7799 -14.5699
BOND 42
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1 #Down
11 6 12 1
12 6 13 1
13 7 14 1
14 15 11 1 #Down
15 12 16 1
16 14 17 1
17 14 18 2
18 15 19 1
19 15 20 1
20 16 21 1
21 16 22 2
22 17 23 2
23 19 24 1
24 20 25 1
25 21 26 2
26 23 27 1
27 24 28 1
28 24 29 1 #Up
29 25 30 1 #Up
30 26 31 1
31 26 32 1
32 28 33 1 #Up
33 32 34 1
34 7 12 2
35 9 10 1
36 17 21 1
37 25 28 1
38 27 31 2
39 9 35 1
40 35 36 1
41 35 37 1 #Up
42 9 38 1 #Down
|
|---|
