Mol:VCA1108
Copyright: ARM project http://www.metabolome.jp/
44 44 0 0 1 0 0 0 0 0 1 V2000 4.5286 -5.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5286 -7.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6751 -7.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8888 -7.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8888 -5.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6751 -5.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0354 -5.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2491 -5.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3956 -5.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5419 -5.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7558 -5.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9022 -5.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0485 -5.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2624 -5.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4089 -5.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5551 -5.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7691 -5.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9154 -5.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0619 -5.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2757 -5.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4220 -5.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5684 -5.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0007 -3.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3494 -3.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0354 -7.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7822 -5.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9287 -5.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5684 -7.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9154 -7.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3956 -3.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0485 -3.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3823 -7.7337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0750 -5.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2889 -5.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4352 -5.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2889 -7.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5816 -5.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7280 -5.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8746 -5.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7923 -3.4180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.0209 -5.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8746 -7.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.0883 -6.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6578 -9.1294 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 1 0 0 0 6 24 1 6 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