Mol:LBF21406CV06
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
36 36 0 0 0 0 0 0 0 0999 V2000
8.9664 -0.6316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.6574 -1.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4664 -2.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2754 -1.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9664 -0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7063 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4984 -2.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0154 -0.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8074 0.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8564 0.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6485 1.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6974 2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4895 3.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5385 3.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3305 4.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5474 -3.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3395 -4.1570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3884 -4.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 -3.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -4.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8324 0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8324 1.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0111 -1.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0600 -1.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1716 5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9147 6.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4664 -3.1704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9664 0.3684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3795 4.8261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6985 0.3684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2190 -0.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7542 -1.8825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2205 6.1133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -3.4367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4863 -5.0840 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
1 8 1 6 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
3 28 2 0 0 0 0
1 29 1 1 0 0 0
7 16 2 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
15 30 1 0 0 0 0
29 21 1 0 0 0 0
21 31 2 0 0 0 0
21 22 1 0 0 0 0
17 32 1 1 0 0 0
32 23 1 0 0 0 0
23 24 1 0 0 0 0
23 33 2 0 0 0 0
30 25 1 0 0 0 0
25 26 1 0 0 0 0
25 34 2 0 0 0 0
20 35 1 0 0 0 0
20 36 2 0 0 0 0
35 27 1 0 0 0 0
S SKP 5
ID LBF21406CV06
FORMULA C27H36O9
EXACTMASS 504.23593274999996
AVERAGEMASS 504.56934
SMILES C(C[C@](OC(C)=O)(C=1)C(=CC=C[C@@H](CCC(=O)OC)OC(C)=O)C(=O)C1)=CCCCCCOC(C)=O
M END
