Mol:LBF20406HO10
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 0 0 0 0 0 0999 V2000 2.1263 -0.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8410 0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5554 -0.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8410 1.2279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4117 0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6972 -0.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0148 0.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8398 0.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5543 -0.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2687 0.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0937 0.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5812 -0.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0651 -1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2401 -1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5257 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8112 -1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0138 -1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7283 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4428 -1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1572 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8692 -1.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5812 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0148 1.2264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 0 1 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 7 23 1 1
S SKP 6 ID LBF20406HO10 FORMULA C20H32O3 EXACTMASS 320.23514489 AVERAGEMASS 320.46628 SMILES C(CC=CCC=CCC=CC=C[C@@H](CCCC(O)=O)O)CCC AUTODRAW FALSE M END
