Mol:LBF22307PG06
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 27 27 0 0 0 0 0 0 0 0999 V2000 6.9449 -0.3953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6359 -1.3463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4449 -1.9341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2539 -1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9449 -0.3953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3571 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6848 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7638 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1761 2.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5828 3.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9950 3.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4017 4.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8140 5.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4769 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5258 -2.9425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3179 -3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 -4.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -6.1860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2961 -4.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3398 -3.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5327 0.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4449 -2.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7827 -2.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8194 5.4769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2207 6.4950 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 3 24 1 1 0 0 0 1 6 1 1 0 0 0 2 7 1 6 0 0 0 6 8 1 0 0 0 0 8 9 2 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 7 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 1 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 5 23 1 6 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 13 26 1 0 0 0 0 13 27 2 0 0 0 0 S SKP 5 ID LBF22307PG06 FORMULA C22H38O5 EXACTMASS 382.271924326 AVERAGEMASS 382.53412000000003 SMILES [C@@H]([C@@H]1C=C[C@@H](C(CCCC)(C)C)O)(C[C@@H](O)[C@@H]1CC=CCCCC(O)=O)O M END
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