Mol:LBF20406CV03
Copyright: ARM project http://www.metabolome.jp/
32 32 0 0 0 0 0 0 0 0999 V2000 -0.4394 1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1539 0.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 1.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 0.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3626 1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8475 0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3626 -0.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8635 -0.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1489 0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3239 0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3906 -0.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1051 0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5291 0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2411 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6176 1.9220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7915 -0.7395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2082 -1.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4217 -2.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4113 -1.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2751 0.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2751 0.0574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9896 1.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 0.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4185 1.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4185 2.1198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 0.8823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8475 1.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9895 0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9895 0.8838 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 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 4 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 5 17 2 0 8 18 1 1 18 19 1 0 19 20 1 0 19 21 2 0 1 22 1 0 22 23 1 6 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 23 30 1 0 30 31 1 0 30 32 2 0
S SKP 6 ID LBF20406CV03 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
