Mol:FL7AADGL0020
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 67 73 0 0 0 0 0 0 0 0999 V2000 -2.2216 1.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2216 0.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -0.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7284 0.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7284 1.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 1.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0182 -0.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7648 0.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7648 1.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0182 1.4916 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.5111 1.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 1.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0328 1.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0328 2.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 2.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5111 2.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9679 1.4915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 2.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -1.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6177 -0.3266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7527 0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3490 -0.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1254 -0.3072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9064 -0.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3102 0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5338 -0.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9269 0.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0241 0.5427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1378 0.0257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5655 -0.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4273 -1.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8068 -1.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0894 -1.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2172 -1.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9002 -0.8826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5277 -1.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1378 -1.1734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6661 -1.5926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4434 -2.0391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9437 -1.0916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5553 -1.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8639 -1.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4689 -2.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8122 -2.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4241 -1.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6479 -1.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2597 -2.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6479 -3.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4241 -3.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4847 -2.4486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9520 -2.4515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2603 -3.7920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7841 -3.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1055 -4.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3882 -4.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4538 -4.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1991 -3.6358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8266 -3.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 -4.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8951 -4.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3748 -4.6933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6572 -3.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6434 -4.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 3.4891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8644 4.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1751 -0.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5882 0.6704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 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 6 1 2 0 0 0 0 4 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 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 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 21 22 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 21 1 0 0 0 0 21 27 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 24 30 1 0 0 0 0 22 20 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 19 1 0 0 0 0 30 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 44 1 0 0 0 0 47 50 1 0 0 0 0 41 51 2 0 0 0 0 48 52 1 0 0 0 0 53 54 1 1 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 53 1 0 0 0 0 53 59 1 0 0 0 0 54 60 1 0 0 0 0 55 61 1 0 0 0 0 56 52 1 0 0 0 0 62 63 1 0 0 0 0 58 62 1 0 0 0 0 64 65 1 0 0 0 0 15 64 1 0 0 0 0 66 67 1 0 0 0 0 36 66 1 0 0 0 0 M CHG 1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 62 63 M SBL 1 1 69 M SMT 1 ^ CH2OH M SBV 1 69 0.8306 -0.5784 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 64 65 M SBL 2 1 71 M SMT 2 OCH3 M SBV 2 71 0.0000 -0.6797 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 66 67 M SBL 3 1 73 M SMT 3 ^ CH2OH M SBV 3 73 0.6473 -0.6773 S SKP 5 ID FL7AADGL0020 FORMULA C43H49O24 EXACTMASS 949.261377496 AVERAGEMASS 949.83476 SMILES C(C=Cc(c6)ccc(c(OC(O7)C(C(O)C(O)C7CO)O)6)O)(OCC(O1)C(O)C(C(O)C1Oc(c2)c(c(c5)ccc(O)c(OC)5)[o+1]c(c4)c2c(cc(O)4)OC(O3)C(C(O)C(O)C(CO)3)O)O)=O M END