Mol:FL5FAAGS0097
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 61 67 0 0 0 0 0 0 0 0999 V2000 2.0450 3.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 3.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7594 2.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4739 3.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4739 3.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7594 4.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3305 2.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 3.0785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0985 2.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0985 1.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 1.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3305 1.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8129 3.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5274 2.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5274 1.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8129 1.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 0.7103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2419 3.0785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1238 1.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0746 4.2504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8129 0.7290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5907 -0.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4143 -0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5852 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3198 0.4198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1489 -0.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4426 -0.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1157 -0.4962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5189 -0.5337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8194 -1.6158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3782 0.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2608 -1.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4835 -2.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7711 -1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0538 -1.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2766 -1.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4358 -1.4817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2191 -2.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1898 -2.5626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9852 -2.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8131 -1.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6683 -3.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 -3.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3754 -3.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5842 -3.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3155 -2.7741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8772 -3.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5202 -3.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4963 -4.3160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0746 -4.2122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6852 -1.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7738 -2.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2804 -1.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0482 -1.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9597 -0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4530 -1.0257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5087 -1.7477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3081 -2.3672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3397 -2.1846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -1.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 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 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 5 20 1 0 0 0 0 16 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 36 39 1 0 0 0 0 35 40 1 0 0 0 0 34 41 1 0 0 0 0 33 42 1 0 0 0 0 37 29 1 0 0 0 0 43 44 1 1 0 0 0 44 45 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 43 1 0 0 0 0 45 49 1 0 0 0 0 44 50 1 0 0 0 0 43 51 1 0 0 0 0 46 40 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 1 0 0 0 55 54 1 1 0 0 0 56 55 1 1 0 0 0 56 57 1 0 0 0 0 57 52 1 0 0 0 0 55 58 1 0 0 0 0 54 59 1 0 0 0 0 53 60 1 0 0 0 0 52 61 1 0 0 0 0 32 56 1 0 0 0 0 19 25 1 0 0 0 0 S SKP 5 ID FL5FAAGS0097 FORMULA C38H48O23 EXACTMASS 872.258637842 AVERAGEMASS 872.7739200000001 SMILES OC(C1O)C(COC(OC(C(O)2)C(C(OC2OCC(O3)C(C(O)C(OC(O7)C(C(O)C(C7C)O)O)C(OC(=C5c(c6)ccc(c6)O)C(c(c(O5)4)c(O)cc(O)c4)=O)3)O)C)O)1)O M END