Mol:LBST03020044
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 4.5981 4.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 5.0304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 4.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7321 3.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 0.0304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 0.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5870 -0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9937 -1.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9882 -0.9478 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6574 -1.6909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 -0.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0175 -3.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3776 -5.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7085 -4.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3557 -4.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0686 -6.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6355 -1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 6.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3484 -2.6420 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 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 2 0 0 0 0 8 9 1 0 0 0 0 6 9 2 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 13 12 1 0 0 0 0 13 14 1 6 0 0 0 14 15 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 1 0 0 0 16 17 1 0 0 0 0 18 17 1 1 0 0 0 13 18 1 0 0 0 0 18 19 1 0 0 0 0 13 20 1 1 0 0 0 2 27 1 6 0 0 0 4 28 1 1 0 0 0 21 29 1 0 0 0 0 19 29 1 0 0 0 0 22 23 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 19 26 1 6 0 0 0 S SKP 5 ID LBST03020044 FORMULA C26H42O3 EXACTMASS 402.31339520999995 AVERAGEMASS 402.60988 SMILES [C@@H](O)(C3)C(=C)C(C[C@@H](O)3)=CC=C(C1)[C@H](C2)[C@]([C@H](C2)[C@@H](OCCC(C)C)C)(C)CC1 M END
</pre>