COMPOUND: C17691
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Entry
C17691 Compound
Name
2-epi-5-epi-Valiolone;
(2S,3S,4S,5R)-2,3,4,5-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one
Formula
C7H12O6
Exact mass
192.0634
Mol weight
192.17
Structure
Mol file
KCF file
DB search
Reaction
R10937
R11079
R11185
R13233
Pathway
map00525
Acarbose and validamycin biosynthesis
map01100
Metabolic pathways
map01110
Biosynthesis of secondary metabolites
Module
M00814
Acarbose biosynthesis, sedoheptulopyranose-7P => acarbose
M00815
Validamycin A biosynthesis, sedoheptulopyranose-7P => validamycin A
Enzyme
1.3.1.126
2.7.1.188
4.2.3.152
5.1.3.33
Other DBs
PubChem:
254741156
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KCF data
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ATOM 13
1 C1y C 15.8900 -15.0500
2 C1y C 15.8900 -16.4500
3 C1y C 17.1024 -17.1500
4 C5x C 18.3149 -16.4500
5 C1x C 18.3149 -15.0500
6 C1z C 17.1024 -14.3500
7 C1b C 17.1024 -12.9502
8 O1a O 18.2980 -12.2598
9 O1a O 14.6776 -17.1500
10 O1a O 17.1024 -18.5498
11 O1a O 14.6776 -14.3500
12 O5x O 19.5460 -17.1610
13 O1a O 16.1125 -13.3601
BOND 13
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 6 7 1 #Down
8 7 8 1
9 2 9 1 #Up
10 3 10 1 #Up
11 1 11 1 #Down
12 4 12 2
13 6 13 1 #Up
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