COMPOUND: C18335
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Entry
C18335 Compound
Name
7,9,12-Decaketide intermediate 6
Formula
C21H21O8SR
Structure
Mol file
KCF file
DB search
Comment
Generic compound in reaction hierarchy
Reaction
R09267
R09326
Pathway
map01056
Biosynthesis of type II polyketide backbone
map01057
Biosynthesis of type II polyketide products
map01100
Metabolic pathways
map01110
Biosynthesis of secondary metabolites
Enzyme
4.2.1.-
Other DBs
PubChem:
124489009
LinkDB
All DBs
KCF data
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ATOM 31
1 C8x C 18.9000 -16.0300
2 C8x C 18.9000 -17.3600
3 C8y C 20.0900 -18.1300
4 C8y C 21.2800 -17.3600
5 C8y C 21.2800 -16.0300
6 C8x C 20.0900 -15.3300
7 C5a C 23.0300 -18.4800
8 C1b C 24.2200 -17.7800
9 C5a C 25.3400 -18.4800
10 C1b C 26.5300 -17.7800
11 C1b C 22.8900 -14.7700
12 C5a C 24.0800 -15.4700
13 C1b C 25.2700 -14.7700
14 C5a C 26.3900 -15.4700
15 C1b C 27.5800 -14.7700
16 C5a C 28.7700 -15.4700
17 S2a S 29.9600 -14.7700
18 O5a O 23.0300 -19.8100
19 O1a O 20.0900 -19.4600
20 O5a O 25.3400 -19.8100
21 O5a O 24.0800 -16.6600
22 O5a O 26.3900 -16.6600
23 O5a O 28.7700 -16.6600
24 R R 31.3600 -14.7700
25 C5a C 27.7200 -18.4800
26 C1b C 28.9100 -17.7800
27 C5a C 30.1700 -18.4800
28 C1b C 31.2900 -17.7800
29 O5a O 27.7200 -19.8800
30 O5a O 30.1700 -19.8800
31 C1a C 32.5500 -18.4800
BOND 31
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 7 18 2
19 3 19 1
20 9 20 2
21 12 21 2
22 14 22 2
23 16 23 2
24 17 24 1
25 10 25 1
26 25 26 1
27 26 27 1
28 27 28 1
29 25 29 2
30 27 30 2
31 28 31 1
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