Mol:VCA1108
Copyright: ARM project http://www.metabolome.jp/
44 44 0 0 0 0 0 0 0 0 1 V2000 4.5284 -7.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5284 -8.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6749 -9.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8886 -8.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8886 -7.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6749 -6.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0351 -6.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2488 -7.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3952 -6.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5415 -7.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7554 -6.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9017 -7.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0480 -6.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2618 -7.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4083 -6.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5545 -7.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7684 -6.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9147 -7.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0611 -6.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2749 -7.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4212 -6.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5675 -7.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 -5.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3492 -5.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0351 -9.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7813 -6.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9277 -7.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5675 -8.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9147 -8.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3952 -5.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0480 -5.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3822 -9.1115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0740 -6.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2879 -7.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4341 -6.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2879 -8.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5805 -7.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7269 -6.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8734 -7.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7911 -4.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.0197 -6.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8734 -8.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.0871 -7.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6576 -10.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 4 25 1 0 0 0 0 22 26 1 0 0 0 0 26 27 2 0 0 0 0 22 28 1 0 0 0 0 18 29 1 0 0 0 0 9 30 1 0 0 0 0 13 31 1 0 0 0 0 2 32 1 0 0 0 0 27 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 35 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 39 43 1 0 0 0 0 3 44 1 0 0 0 0
S SKP 5 ID VCA1108 FORMULA C40H56O4 EXACTMASS 600.41786028 AVERAGEMASS 600.8702400000001 SMILES C(O)(C1O)C(=C(C(C1)(C)C)C=CC(C)=CC=CC(C)=CC=CC=C(C=CC=C(C=CC=C(C=CC(O)C(C)(C)O)C)C)C)C M END
