Mol:LBF21307PG11
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 26 0 0 0 0 0 0 0 0999 V2000
9.2937 3.3649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.9847 2.4139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.7937 1.8261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.6028 2.4139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.2937 3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7937 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0337 2.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2905 2.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3395 2.4650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3884 2.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 2.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 2.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 3.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.8762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6598 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6598 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5258 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5258 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3918 -2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3918 -3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0304 3.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5538 2.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6485 1.5139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7059 4.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5258 -4.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.2578 -4.1739 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 1 0 0 0 0
5 1 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
12 13 1 0 0 0 0
13 14 1 0 0 0 0
2 7 1 1 0 0 0
6 15 1 0 0 0 0
15 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
4 22 1 6 0 0 0
9 23 1 1 0 0 0
3 6 1 6 0 0 0
1 24 1 6 0 0 0
20 25 1 0 0 0 0
20 26 2 0 0 0 0
9 21 1 6 0 0 0
S SKP 5
ID LBF21307PG11
FORMULA C21H36O5
EXACTMASS 368.256274262
AVERAGEMASS 368.50754
SMILES C(=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](C[C@@H]1O)O)[C@](C)(O)CCCCC
M END
