Mol:FL6DBAGI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 47 51 0 0 0 0 0 0 0 0999 V2000 -3.2555 1.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2555 0.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5408 0.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8262 0.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8262 1.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5408 1.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1115 0.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3969 0.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3969 1.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1115 1.8103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3175 1.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0459 1.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7742 1.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7742 2.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0459 3.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3175 2.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1115 -0.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1991 -0.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5408 2.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2555 3.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9701 1.8103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2555 3.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9699 4.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5411 4.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0127 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6567 -1.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0931 -1.3854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6343 -1.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3038 -1.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -1.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4974 -0.5998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2916 -1.1882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6847 -2.0202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2494 -2.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3558 -3.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6863 -3.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4362 -3.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9774 -4.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6468 -3.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8971 -3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9309 -2.8959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5109 -3.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9701 -4.2854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3065 -2.8713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3288 2.9713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5482 -0.5431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6303 -1.0730 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 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 6 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 7 17 1 1 0 0 0 8 18 1 1 0 0 0 6 19 1 0 0 0 0 19 20 1 0 0 0 0 21 1 1 0 0 0 0 20 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 1 0 0 0 29 28 1 1 0 0 0 29 30 1 0 0 0 0 30 25 1 0 0 0 0 25 31 1 0 0 0 0 30 32 1 0 0 0 0 29 33 1 0 0 0 0 28 34 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 1 0 0 0 37 38 1 1 0 0 0 39 38 1 1 0 0 0 39 40 1 0 0 0 0 40 35 1 0 0 0 0 35 41 1 0 0 0 0 40 42 1 0 0 0 0 39 43 1 0 0 0 0 26 17 1 0 0 0 0 34 44 1 0 0 0 0 44 36 1 0 0 0 0 14 45 1 0 0 0 0 46 47 1 0 0 0 0 3 46 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 46 47 M SBL 1 1 51 M SMT 1 OCH3 M SBV 1 51 0.0074 0.7030 S SKP 5 ID FL6DBAGI0002 FORMULA C32H42O15 EXACTMASS 666.252370674 AVERAGEMASS 666.66688 SMILES c(c5OC)(c4c(CC=C(C)C)c(O)c5)C(C(C(O4)c(c3)ccc(c3)O)O)OC(O1)C(C(O)C(O)C1COC(O2)C(O)C(C(C2)O)O)O M END