Mol:LBF20406CV11
Copyright: ARM project http://www.metabolome.jp/
36 36 0 0 0 0 0 0 0 0999 V2000 -2.6395 -0.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3801 -0.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3801 -1.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1647 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6497 -0.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1647 -0.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6395 0.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9275 1.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9275 1.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5956 -1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8812 -1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0562 -1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3417 -1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3703 -1.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0823 -1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7943 -1.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5063 -1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5936 -2.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0103 -2.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2238 -3.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2134 -2.5493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4196 0.4821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6384 2.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2166 2.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5069 1.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2076 2.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 1.9124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6365 2.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2076 3.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6384 3.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9239 3.5597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3529 3.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2207 -1.4303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9353 -1.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6497 -1.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9353 -2.6678 0.0000 O 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 6 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 17 33 1 0 33 34 1 0 34 35 1 0 34 36 2 0
S SKP 6 ID LBF20406CV11 FORMULA C27H36O9 EXACTMASS 504.23593274999996 AVERAGEMASS 504.56934 SMILES C(C[C@](OC(C)=O)(C=1)C(=CC=C[C@@H](CCC(=O)OC)OC(C)=O)C(=O)C1)=CCCCCCOC(C)=O AUTODRAW FALSE M END
