COMPOUND: C09853
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Entry
C09853 Compound
Name
1,2-Dihydroxymint lactone
Formula
C10H14O4
Exact mass
198.0892
Mol weight
198.2158
Structure
Mol file
KCF file
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CAS:
168029-69-4
PubChem:
12040
ChEBI:
507
KNApSAcK:
C00003041
3DMET:
B03325
NIKKAJI:
J2.771.232K
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KCF data
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ATOM 14
1 C1y C 28.0359 -20.0970
2 C2y C 28.0359 -18.6989
3 C1y C 26.8249 -20.7991
4 O7x O 29.3698 -20.5300
5 C2y C 29.3640 -18.2601
6 C1x C 26.8249 -17.9968
7 C1z C 25.6139 -20.0970
8 O1a O 26.8132 -22.4074
9 C7x C 30.1889 -19.3950
10 C1a C 29.7968 -16.9321
11 C1x C 25.6139 -18.6989
12 C1a C 24.3971 -20.5891
13 O1a O 25.6022 -21.4953
14 O6a O 31.5930 -19.3950
BOND 15
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1 #Down
8 4 9 1
9 5 10 1
10 6 11 1
11 7 12 1 #Up
12 7 13 1 #Down
13 9 14 2
14 5 9 1
15 7 11 1
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