COMPOUND: C20501
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Entry
C20501 Compound
Name
(1'S,5'R)-5'-Hydroxyaverantin;
(1'S,5'R)-Hydroxyaverantin
Formula
C20H20O8
Exact mass
388.1158
Mol weight
388.368
Structure
Mol file
KCF file
DB search
Reaction
R10311
R10318
Pathway
map00254
Aflatoxin biosynthesis
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:
172232250
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KCF data
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ATOM 28
1 C8x C 11.9685 -15.4681
2 C8y C 11.9685 -16.8679
3 C8x C 13.1808 -17.5677
4 C8y C 14.3931 -16.8679
5 C8y C 14.3931 -15.4681
6 C8y C 13.1808 -14.7681
7 C5x C 15.6054 -17.5677
8 C8y C 16.8176 -16.8679
9 C8y C 16.8176 -15.4681
10 C5x C 15.6054 -14.7681
11 C8x C 18.0300 -17.5677
12 C8y C 19.2422 -16.8679
13 C8y C 19.2422 -15.4681
14 C8y C 18.0300 -14.7681
15 O5x O 15.6054 -13.3683
16 O5x O 15.6054 -18.9676
17 O1a O 13.1808 -13.3685
18 O1a O 10.7563 -17.5677
19 O1a O 18.0300 -13.3686
20 O1a O 20.4585 -17.5700
21 C1c C 20.4598 -14.7681
22 C1b C 21.6722 -15.4681
23 C1b C 22.8844 -14.7681
24 C1b C 24.0967 -15.4681
25 C1c C 25.3090 -14.7681
26 C1a C 26.5213 -15.4681
27 O1a O 20.4612 -13.3685
28 O1a O 25.3090 -13.3715
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 #Down
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