COMPOUND: C08571
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Entry
C08571 Compound
Name
gamma-Undecalactone;
2(3H)-Furanone, 5-heptyldihydro-
Formula
C11H20O2
Exact mass
184.1463
Mol weight
184.27
Structure
Mol file
KCF file
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CAS:
104-67-6
PubChem:
10764
ChEBI:
10580
KNApSAcK:
C00001329
NIKKAJI:
J1.182G
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KCF data
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ATOM 13
1 C1y C 30.3920 -19.3258
2 O7x O 31.5354 -18.4915
3 C1x C 30.8353 -20.6677
4 C1b C 29.3185 -18.6783
5 C7x C 32.6847 -19.3258
6 C1x C 32.2414 -20.6677
7 C1b C 28.0932 -19.3842
8 O6a O 34.0266 -18.8942
9 C1b C 26.8738 -18.6783
10 C1b C 25.6547 -19.3842
11 C1b C 24.4294 -18.6783
12 C1b C 23.2100 -19.3842
13 C1a C 21.9849 -18.6783
BOND 13
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 3 6 1
6 4 7 1
7 5 8 2
8 7 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 5 6 1
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