| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C22H20O10
|
|---|
| Exact mass |
444.1056
|
|---|
| Mol weight |
444.39
|
|---|
| Structure |
|
|---|
| Pathway |
| map01057 | Biosynthesis of type II polyketide products |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1303 Benzoisochromanquinones
C06799 Granaticin
Secondary metabolites in pathway maps [br08011.html]
Biosynthetic pathways and modules of secondary metabolites
C06799
|
|---|
| Other DBs |
|
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| LinkDB |
|
|---|
| KCF data |
ATOM 32
1 C8y C 30.1700 -23.4500
2 C8y C 30.1700 -22.1900
3 C1z C 28.9800 -24.1500
4 C8y C 31.2900 -24.1500
5 C1y C 28.9800 -21.5600
6 C8y C 31.2900 -21.5600
7 C1y C 27.8600 -23.4500
8 C1y C 26.2500 -24.1500
9 O1a O 29.0500 -25.4800
10 C8y C 32.4100 -23.4500
11 O1a O 31.2900 -25.4800
12 C1x C 27.8600 -22.1900
13 O2x O 26.2500 -21.5600
14 C8y C 32.4100 -22.1900
15 O1a O 31.2900 -20.3000
16 O1a O 28.9800 -22.8200
17 C1a C 25.3400 -25.0600
18 C5x C 33.5300 -24.1500
19 C5x C 33.5300 -21.5600
20 C2y C 34.7200 -23.4500
21 O5x O 33.5300 -25.4800
22 C2y C 34.7200 -22.1900
23 O5x O 33.5300 -20.3000
24 C1y C 35.8400 -24.1500
25 C1y C 35.8400 -21.5600
26 O2x O 36.9600 -23.4500
27 C1a C 35.8400 -25.4800
28 C1y C 36.9600 -22.1900
29 O7x O 36.1200 -20.2300
30 C1x C 37.9400 -21.2800
31 C7x C 37.5900 -20.2300
32 O6a O 38.2200 -19.1800
BOND 37
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 3 9 1 #Down
9 4 10 1
10 4 11 1
11 5 12 1
12 5 13 1
13 6 14 1
14 6 15 1
15 7 16 1 #Down
16 8 17 1 #Up
17 10 18 1
18 14 19 1
19 18 20 1
20 18 21 2
21 19 22 1
22 19 23 2
23 20 24 1
24 22 25 1
25 24 26 1
26 24 27 1 #Up
27 25 28 1
28 25 29 1
29 28 30 1
30 29 31 1
31 31 32 2
32 7 12 1
33 8 13 1
34 10 14 2
35 20 22 2
36 26 28 1
37 30 31 1
|
|---|
