Mol:FL7AAIGL0014
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 56 61 0 0 0 0 0 0 0 0999 V2000 -2.2656 1.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2656 1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5507 0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8359 1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8359 1.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5507 2.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5939 1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5938 1.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1211 2.3900 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.3084 2.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 1.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7655 2.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7655 3.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0371 3.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3084 3.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9801 2.3898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5391 3.6777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5507 -0.0860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5533 0.6681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7881 -2.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4435 -3.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1063 -3.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7730 -3.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1178 -2.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 -2.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0431 -2.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1551 -0.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4659 -0.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9612 -0.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1306 -1.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8200 -1.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3246 -0.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0946 0.5444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0887 -0.7847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9338 -1.9119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4892 -1.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0063 -2.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0169 -3.3495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7638 -3.8006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7730 -3.9808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3569 -4.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1112 -4.8823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1483 -4.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5421 -4.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2871 -4.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 -4.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5254 -4.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9383 -4.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5254 -5.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6999 -5.6128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7630 -4.9148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0371 4.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6044 5.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4779 1.9786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7630 1.9785 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 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 20 1 0 0 0 0 42 43 2 0 0 0 0 42 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 50 1 0 0 0 0 50 51 2 0 0 0 0 51 46 1 0 0 0 0 49 52 1 0 0 0 0 42 39 1 0 0 0 0 53 54 1 0 0 0 0 15 53 1 0 0 0 0 55 56 1 0 0 0 0 13 55 1 0 0 0 0 M CHG 1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 53 54 M SBL 1 1 59 M SMT 1 OCH3 M SBV 1 59 0.0000 -0.8119 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 55 56 M SBL 2 1 61 M SMT 2 OCH3 M SBV 2 61 -0.7125 0.4113 S SKP 5 ID FL7AAIGL0014 FORMULA C38H41O18 EXACTMASS 785.229289508 AVERAGEMASS 785.72134 SMILES c(c6)c(ccc6O)C=CC(=O)OC(C1O)C(OC(OCC(C5O)OC(C(C(O)5)O)Oc(c(c(c4)cc(c(O)c(OC)4)OC)2)cc(c3O)c(cc(c3)O)[o+1]2)C1O)C M END