COMPOUND: C20500
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Entry
C20500 Compound
Name
(1'S,5'S)-5'-Hydroxyaverantin;
(1'S,5'S)-Hydroxyaverantin
Formula
C20H20O8
Exact mass
388.1158
Mol weight
388.37
Structure
Mol file
KCF file
DB search
Reaction
R10310
R10317
Pathway
map00254
Aflatoxin biosynthesis
map01100
Metabolic pathways
map01110
Biosynthesis of secondary metabolites
Module
M00937
Aflatoxin biosynthesis, malonyl-CoA => aflatoxin B1
Enzyme
1.1.1.352
1.14.14.116
Other DBs
PubChem:
172232249
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KCF data
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ATOM 28
1 C8x C 11.9675 -15.4668
2 C8y C 11.9675 -16.8665
3 C8x C 13.1797 -17.5663
4 C8y C 14.3919 -16.8665
5 C8y C 14.3919 -15.4668
6 C8y C 13.1797 -14.7669
7 C5x C 15.6041 -17.5663
8 C8y C 16.8162 -16.8665
9 C8y C 16.8162 -15.4668
10 C5x C 15.6041 -14.7669
11 C8x C 18.0285 -17.5663
12 C8y C 19.2406 -16.8665
13 C8y C 19.2406 -15.4668
14 C8y C 18.0285 -14.7669
15 O5x O 15.6041 -13.3672
16 O5x O 15.6041 -18.9660
17 O1a O 13.1797 -13.3674
18 O1a O 10.7554 -17.5663
19 O1a O 18.0285 -13.3675
20 O1a O 20.4568 -17.5686
21 C1c C 20.4581 -14.7669
22 C1b C 21.6704 -15.4668
23 C1b C 22.8825 -14.7669
24 C1b C 24.0947 -15.4668
25 C1c C 25.3069 -14.7669
26 C1a C 26.5191 -15.4668
27 O1a O 20.4595 -13.3674
28 O1a O 25.3069 -13.3704
BOND 30
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 2
10 9 10 1
11 5 10 1
12 8 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 9 14 1
17 10 15 2
18 7 16 2
19 6 17 1
20 2 18 1
21 14 19 1
22 12 20 1
23 13 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 21 27 1 #Up
30 25 28 1 #Up
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