Mol:FL7AAAGL0047
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 85 92 0 0 0 0 0 0 0 0999 V2000 -3.0953 0.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0953 -0.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3807 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6662 -0.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6662 0.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3807 0.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9517 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2371 -0.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2371 0.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9517 0.9858 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.4772 0.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2054 0.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9337 0.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9337 1.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2054 2.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4772 1.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8095 0.9857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6618 2.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3807 -1.3240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4072 -0.8665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3041 -3.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4436 -3.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 -2.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7813 -1.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0387 -2.2544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0336 -3.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3321 -4.2793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0311 -2.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6213 -1.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1793 -1.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5429 -1.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9287 -1.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 -1.1064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0251 -1.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1469 -1.4434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7778 -1.8224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0530 -1.9874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3256 -0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3256 0.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0812 0.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6374 0.1374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0812 1.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4676 -3.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3676 -3.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -3.4959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7909 -3.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6369 -3.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0351 -4.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8312 -4.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -3.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8312 -3.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0351 -3.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0240 -3.7742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0488 -0.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4998 -1.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1492 -1.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7760 -0.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3206 -0.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7523 -0.8531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7582 -1.2431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7291 -1.4766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4004 -0.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8912 0.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6408 -0.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8912 1.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6097 1.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6097 2.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3393 3.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3393 4.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6097 4.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8802 4.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8802 3.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6111 5.1559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3573 -0.8146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0922 -0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -4.0268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3609 4.5856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7186 5.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7307 1.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2404 1.4101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7307 2.4532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3226 -2.4845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2404 -3.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2628 -5.1681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1805 -5.6979 0.0000 C 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 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 23 28 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 1 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 29 1 0 0 0 0 29 35 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 34 38 1 0 0 0 0 32 19 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 28 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 2 0 0 0 0 44 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 47 1 0 0 0 0 50 53 1 0 0 0 0 54 55 1 1 0 0 0 55 56 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 54 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 20 54 1 0 0 0 0 24 60 1 0 0 0 0 62 63 1 0 0 0 0 63 64 2 0 0 0 0 63 65 1 0 0 0 0 65 66 2 0 0 0 0 66 67 1 0 0 0 0 67 68 2 0 0 0 0 68 69 1 0 0 0 0 69 70 2 0 0 0 0 70 71 1 0 0 0 0 71 72 2 0 0 0 0 72 67 1 0 0 0 0 70 73 1 0 0 0 0 57 74 1 0 0 0 0 58 75 1 0 0 0 0 75 62 1 0 0 0 0 22 76 1 0 0 0 0 77 78 1 0 0 0 0 71 77 1 0 0 0 0 79 80 2 0 0 0 0 79 81 1 0 0 0 0 42 79 1 0 0 0 0 82 83 1 0 0 0 0 51 82 1 0 0 0 0 84 85 1 0 0 0 0 49 84 1 0 0 0 0 M CHG 1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 77 78 M SBL 1 1 85 M SMT 1 ^ OCH3 M SBV 1 85 0.5193 -0.4633 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 79 80 81 M SBL 2 1 88 M SMT 2 ^ COOH M SBV 2 88 0.6495 -0.3751 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 82 83 M SBL 3 1 90 M SMT 3 OCH3 M SBV 3 90 -0.4915 -0.6002 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 84 85 M SBL 4 1 92 M SMT 4 OCH3 M SBV 4 92 -0.4316 0.7044 S SKP 5 ID FL7AAAGL0047 FORMULA C56H59O29 EXACTMASS 1195.314200926 AVERAGEMASS 1196.05026 SMILES C(OC(C=Cc(c8)cc(OC)c(O)c8OC)=O)(C1O)C(OC(C(O)6)C(OC(COC(=O)C=Cc(c7)cc(c(O)c7)OC)C(O)6)Oc(c3)c([o+1]c(c5)c3c(cc5O)OC(O4)C(C(C(C4COC(=O)CC(O)=O)O)O)O)c(c2)ccc(O)c2)OCC(O)1 M END