Mol:VCA1019
Copyright: ARM project http://www.metabolome.jp/
44 45 0 0 1 0 0 0 0 0 3 V2000 5.1208 -6.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 -8.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2726 -8.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4245 -8.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4245 -6.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2726 -6.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6001 -6.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7521 -6.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9038 -6.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0557 -6.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2077 -6.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3595 -6.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5112 -6.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6631 -6.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8149 -6.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9668 -6.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1186 -6.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2705 -6.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4223 -6.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5742 -6.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7259 -6.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8779 -6.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6076 -4.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9376 -4.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5941 -8.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0234 -6.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1560 -6.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2855 -6.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4165 -6.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5683 -6.0257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5684 -4.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4374 -4.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2856 -4.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7514 -7.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0814 -7.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1129 -4.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8779 -8.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2705 -8.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9038 -4.7020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5112 -4.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2723 -10.0116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9692 -8.6920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.7163 -4.0332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.1474 -4.0541 0.0000 C 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 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 28 33 2 0 0 0 0 29 34 1 0 0 0 0 29 35 1 0 0 0 0 33 36 1 0 0 0 0 22 37 1 0 0 0 0 18 38 1 0 0 0 0 9 39 1 0 0 0 0 13 40 1 0 0 0 0 3 41 2 0 0 0 0 2 42 1 1 0 0 0 31 43 1 1 0 0 0 43 44 1 0 0 0 0
A 44 Glc S SKP 5 ID VCA1019 FORMULA C41H56O3 EXACTMASS 596.422945658 AVERAGEMASS 596.88154 SMILES CC(=C1C=CC(=CC=CC(C)=CC=CC=C(C=CC=C(C=CC(=C(C)2)C(CC(OC)C2)(C)C)C)C)C)C(=O)C(O)CC1(C)C M END
