Mol:FL3FABGS0020
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 64 70 0 0 0 0 0 0 0 0999 V2000 -0.2011 1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2011 0.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5134 0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2279 0.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2279 1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5134 1.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9423 0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6567 0.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6567 1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9423 1.6919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3712 1.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0856 1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8001 1.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8001 2.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0856 2.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3712 2.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9423 -0.7831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5134 -0.7831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5463 2.9476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9207 1.6263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1876 2.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5774 2.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1648 1.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3665 1.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5731 1.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9856 2.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7839 2.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0633 2.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7907 2.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0798 1.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8390 1.7287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8972 0.8740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5344 1.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1218 0.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3235 0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5300 0.5252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9425 1.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7409 1.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9364 1.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5001 1.4799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1193 0.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6928 0.6563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8528 -0.1586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6439 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2314 -0.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4331 -0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6396 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0521 0.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8505 0.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1298 0.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6716 0.5106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1876 0.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8024 -0.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 -0.9203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2865 -1.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6991 -2.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9057 -2.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1074 -2.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6947 -1.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4882 -1.8443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0295 -2.9476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4217 -2.7469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1335 -2.1789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9179 -1.6974 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 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 11 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 14 19 1 0 0 0 0 20 1 1 0 0 0 0 19 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 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 35 43 1 0 0 0 0 44 45 1 1 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 44 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 44 52 1 0 0 0 0 45 53 1 0 0 0 0 46 54 1 0 0 0 0 36 32 1 0 0 0 0 47 43 1 0 0 0 0 25 20 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 55 1 0 0 0 0 58 61 1 0 0 0 0 57 62 1 0 0 0 0 56 63 1 0 0 0 0 55 64 1 0 0 0 0 59 54 1 0 0 0 0 S SKP 5 ID FL3FABGS0020 FORMULA C40H52O24 EXACTMASS 916.284852592 AVERAGEMASS 916.82648 SMILES C(C1O)(O)C(O)C(C)OC1OC(C7O)C(OC(C7O)CO)OC(C(O)2)C(OC(C(Oc(c4)cc(O)c(C6=O)c(OC(=C6)c(c5)ccc(c5)OC)4)3)C(O)C(O)C(CO)O3)OC(CO)C(O)2 M END