Mol:LBF20406PG02
Copyright: ARM project http://www.metabolome.jp/
23 23 0 0 0 0 0 0 0 0999 V2000 -0.8210 0.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5355 1.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3073 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3073 -0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0947 -0.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5810 0.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0947 0.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4756 -0.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7611 -0.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0468 -0.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0066 0.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7235 1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 0.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1523 1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8668 0.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5810 1.2128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8668 0.1124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6676 -0.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3821 -0.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0966 -0.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8111 -0.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5255 -0.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3497 -1.2128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 2 1 6 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 3 1 0 4 8 2 0 8 9 1 0 9 10 2 0 1 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 2 0 10 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 5 23 2 0
S SKP 6 ID LBF20406PG02 FORMULA C20H28O3 EXACTMASS 316.203844762 AVERAGEMASS 316.43452 SMILES C(CC=CC=C(C(=O)1)[C@@H](CC=CCCCC(O)=O)C=C1)CCC AUTODRAW FALSE M END
