Mol:FL7AAHGL0014
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 62 67 0 0 0 0 0 0 0 0999 V2000 -1.3314 15.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3314 14.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 14.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0982 14.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0982 15.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 16.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8129 14.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5277 14.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5277 15.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8129 16.1540 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 2.2422 16.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9707 15.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6992 16.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6992 16.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9707 17.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2422 16.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0459 16.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3891 17.3934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 13.6783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2923 14.4649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3127 14.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9680 14.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6308 14.4183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2975 14.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6422 14.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9794 14.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7474 14.8141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4928 15.2113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3305 14.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9955 14.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2522 13.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6984 13.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9575 13.5536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6996 12.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8782 11.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8781 11.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1998 10.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1999 9.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8781 9.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5566 9.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5565 10.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8782 8.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4274 15.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4858 11.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7021 11.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 12.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2222 12.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9214 12.5669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9486 11.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5546 10.5769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9756 10.7336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1183 12.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7701 11.6067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4688 12.0271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1389 11.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1389 10.9533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8076 12.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5498 -18.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3305 -18.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5498 -19.2482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9707 18.0953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5378 19.2482 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 26 28 1 0 0 0 0 25 29 1 0 0 0 0 22 20 1 0 0 0 0 24 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 36 1 0 0 0 0 39 42 1 0 0 0 0 13 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 44 50 1 0 0 0 0 45 51 1 0 0 0 0 46 52 1 0 0 0 0 47 19 1 0 0 0 0 49 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 55 57 1 0 0 0 0 58 60 1 0 0 0 0 58 59 2 0 0 0 0 57 58 1 0 0 0 0 61 62 1 0 0 0 0 15 61 1 0 0 0 0 M CHG 1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 58 59 60 M SBL 1 1 65 M SMT 1 ^ COOH M SBV 1 65 0.7422 30.4657 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 61 62 M SBL 2 1 67 M SMT 2 OCH3 M SBV 2 67 0.0000 -0.6796 S SKP 5 ID FL7AAHGL0014 FORMULA C40H41O22 EXACTMASS 873.208947996 AVERAGEMASS 873.7403400000001 SMILES C(OC(=O)CC(O)=O)C(C1O)OC(Oc(c24)cc(O)cc2[o+1]c(c(OC(O5)C(C(O)C(C5COC(C=Cc(c6)ccc(O)c6)=O)O)O)c4)c(c3)cc(c(c3OC)O)O)C(O)C(O)1 M END