Mol:LBF21406CV01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 32 0 0 0 0 0 0 0 0999 V2000
8.9664 0.3466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.6574 -0.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4664 -1.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2754 -0.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9664 0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7063 -0.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4984 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5474 -2.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3395 -3.1788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3884 -3.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 -2.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -3.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0154 0.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8074 1.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8564 1.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6485 2.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6974 3.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4895 4.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5385 4.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3305 5.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8747 -4.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9236 -5.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8324 1.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6985 1.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4664 -2.1923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9664 1.3466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0826 -3.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6178 -5.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8324 2.8466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -2.4586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4863 -4.1059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
1 5 1 0 0 0 0
2 6 2 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
1 13 1 6 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
3 26 2 0 0 0 0
1 27 1 1 0 0 0
9 28 1 6 0 0 0
28 21 1 0 0 0 0
21 22 1 0 0 0 0
21 29 2 0 0 0 0
27 23 1 0 0 0 0
23 24 1 0 0 0 0
23 30 2 0 0 0 0
12 31 1 0 0 0 0
12 32 2 0 0 0 0
31 25 1 0 0 0 0
S SKP 5
ID LBF21406CV01
FORMULA C25H34O7
EXACTMASS 446.230453442
AVERAGEMASS 446.53326000000004
SMILES O(C(C)=O)[C@@](C1=CC=C[C@@H](CCC(OC)=O)OC(C)=O)(CC=CCCCCC)C=CC1=O
M END
