COMPOUND: C01125
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Entry
C01125 Compound
Name
Dihydro-4,4-dimethyl-2,3-furandione;
2-Dehydropantoyl lactone;
2-Dehydropantolactone
Formula
C6H8O3
Exact mass
128.0473
Mol weight
128.1259
Structure
Mol file
KCF file
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Reaction
R03155
R03156
Enzyme
1.1.1.168
1.1.1.214
1.1.1.358
1.1.99.27
Other DBs
CAS:
13031-04-4
PubChem:
4356
ChEBI:
18395
3DMET:
B00243
NIKKAJI:
J27.237J
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All DBs
KCF data
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ATOM 9
1 C1z C 20.0900 -20.5100
2 C5x C 21.4900 -20.5100
3 C7x C 21.9226 -19.1785
4 O7x O 20.7900 -18.3556
5 C1x C 19.6574 -19.1785
6 O6a O 23.2422 -18.7497
7 O5x O 22.3129 -21.6426
8 C1a C 19.2671 -21.6426
9 C1a C 20.7256 -21.7574
BOND 9
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 3 6 2
7 2 7 2
8 1 8 1
9 1 9 1
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