Mol:LBF20308PG03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 24 0 0 0 0 0 0 0 0999 V2000
2.3090 -0.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 -1.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 -1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3090 -0.3953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8968 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5691 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7770 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7281 -2.9425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9360 -3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8870 -4.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0949 -5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0460 -5.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2539 -6.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4901 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0779 2.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6711 3.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2589 3.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8522 4.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4399 5.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4712 -2.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 -2.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4345 5.4769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0332 6.4950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 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
5 6 1 6 0 0 0
7 8 1 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
9 21 1 6 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
3 22 2 0 0 0 0
4 7 2 0 0 0 0
20 23 1 0 0 0 0
20 24 2 0 0 0 0
S SKP 5
ID LBF20308PG03
FORMULA C20H30O4
EXACTMASS 334.21440944799997
AVERAGEMASS 334.4498
SMILES C(CC[C@@H](O)CC=C(C(=O)1)[C@@H](CC=CCCCC(O)=O)C=C1)CC
M END
