COMPOUND: C20452
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Entry
C20452 Compound
Name
Norsolorinic acid;
Norsolorinate;
2-Hexanoyl-1,3,6,8-tetrahydroxy-9,10-anthraquinone
Formula
C20H18O7
Exact mass
370.1053
Mol weight
370.3527
Structure
Mol file
KCF file
DB search
Reaction
R10224
R10309
Pathway
map00254
Aflatoxin biosynthesis
map01100
Metabolic pathways
map01110
Biosynthesis of secondary metabolites
Enzyme
1.1.1.349
1.13.12.20
Other DBs
CAS:
10254-99-6
PubChem:
163312189
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All DBs
KCF data
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ATOM 27
1 C8x C 11.6200 -15.2600
2 C8y C 11.6200 -16.6600
3 C8x C 12.8324 -17.3600
4 C8y C 14.0449 -16.6600
5 C8y C 14.0449 -15.2600
6 C8y C 12.8324 -14.5600
7 C5x C 15.2573 -17.3600
8 C8y C 16.4697 -16.6600
9 C8y C 16.4697 -15.2600
10 C5x C 15.2573 -14.5600
11 C8x C 17.6822 -17.3600
12 C8y C 18.8946 -16.6600
13 C8y C 18.8946 -15.2600
14 C8y C 17.6822 -14.5600
15 O5x O 15.2573 -13.1600
16 O5x O 15.2573 -18.7600
17 O1a O 12.8324 -13.1602
18 O1a O 10.4076 -17.3600
19 O1a O 17.6822 -13.1603
20 O1a O 20.1111 -17.3623
21 C5a C 20.1124 -14.5600
22 C1b C 21.3249 -15.2600
23 C1b C 22.5373 -14.5600
24 C1b C 23.7497 -15.2600
25 C1b C 24.9622 -14.5600
26 C1a C 26.1746 -15.2600
27 O5a O 20.1138 -13.1602
BOND 29
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 2
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