Mol:FL5FFAGL0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 55 60 0 0 0 0 0 0 0 0999 V2000 -1.2644 0.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2644 0.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5534 -0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1577 0.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1577 0.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5534 1.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8687 -0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5797 0.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5797 0.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8687 1.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8687 -1.1115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2905 1.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0150 0.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7397 1.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7397 2.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0150 2.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2905 2.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9751 1.3179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -0.3483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5534 -1.1445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3089 -1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8798 -2.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7050 -2.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5349 -2.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1390 -1.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6177 -1.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3193 0.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8903 -0.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7154 -0.3211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5454 -0.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9745 0.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1494 -0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5857 0.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6761 0.5582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7528 0.0406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2923 -0.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7477 -1.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2637 -2.2376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2914 -2.8606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5349 -3.1980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4873 2.5863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8208 1.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2752 0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4895 0.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7313 0.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2823 1.5328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0849 1.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5211 1.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2427 0.6277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7698 0.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5534 2.0481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0046 3.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7142 1.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9641 2.1282 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 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 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 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 28 29 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 28 1 0 0 0 0 28 34 1 0 0 0 0 33 35 1 0 0 0 0 32 36 1 0 0 0 0 31 37 1 0 0 0 0 25 38 1 0 0 0 0 37 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 29 19 1 0 0 0 0 42 15 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 43 49 1 0 0 0 0 44 50 1 0 0 0 0 45 51 1 0 0 0 0 46 18 1 0 0 0 0 52 53 1 0 0 0 0 6 52 1 0 0 0 0 54 55 1 0 0 0 0 48 54 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 52 53 M SBL 1 1 58 M SMT 1 OCH3 M SBV 1 58 0.0000 -0.7301 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 54 55 M SBL 2 1 60 M SMT 2 ^ CH2OH M SBV 2 60 0.6292 -0.6169 S SKP 5 ID FL5FFAGL0010 FORMULA C34H42O21 EXACTMASS 786.2218584059999 AVERAGEMASS 786.68468 SMILES c(c6)(c(c(O4)c(c(O)6)C(=O)C(=C4c(c5)ccc(c5)O)OC(O2)C(C(C(O)C(COC(C3O)OC(C)C(C3O)O)2)O)O)OC)OC(O1)C(O)C(C(C1CO)O)O M END