Mol:LBF20406CV04
Copyright: ARM project http://www.metabolome.jp/
32 32 0 0 0 0 0 0 0 0999 V2000 -1.5678 -0.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3084 -0.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3084 -1.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5780 -0.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 -0.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5678 0.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8558 1.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8558 1.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5239 -1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8095 -1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0155 -1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -1.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 -1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5780 -1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5219 -2.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9386 -2.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1521 -3.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1417 -2.5493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3479 0.4821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5667 2.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1449 2.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5648 1.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2793 2.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9937 1.9124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7082 2.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2793 3.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5667 3.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8522 3.5597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2812 3.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 2 1 0 1 7 1 0 7 8 2 0 8 9 1 0 10 11 1 0 11 12 2 0 12 13 1 0 3 10 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 3 18 1 1 18 19 1 0 19 20 1 0 19 21 2 0 6 22 2 0 9 23 1 1 9 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 26 29 2 0 23 30 1 0 30 31 2 0 30 32 1 0
S SKP 6 ID LBF20406CV04 FORMULA C25H34O7 EXACTMASS 446.230453442 AVERAGEMASS 446.53326000000004 SMILES O(C(C)=O)[C@@](C1=CC=C[C@H](CCC(OC)=O)OC(C)=O)(CC=CCCCCC)C=CC1=O AUTODRAW FALSE M END
