Mol:FL5FCCGA0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 57 62 0 0 0 0 0 0 0 0999 V2000 -2.9473 1.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9473 1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2461 0.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5449 1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5449 1.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2461 2.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8436 0.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1424 1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1424 1.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8436 2.3597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8436 0.1090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5585 2.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2733 1.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 2.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 3.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2733 3.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5585 3.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5827 0.6948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2461 -0.0691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5338 -1.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 -1.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9243 -1.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7430 -1.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1663 -1.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3525 -1.2703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7708 -1.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7338 1.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3107 0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1243 0.5992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9430 0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3663 1.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5525 0.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0112 1.1145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9096 1.3431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3264 1.8589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5140 0.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9508 -0.2448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4399 -1.5069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3512 -2.1718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7444 -2.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7870 3.6461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8178 -2.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3946 -3.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2083 -3.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -3.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4502 -2.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6365 -3.1860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1119 -3.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1754 -3.5061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6147 -4.1700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0283 -4.4225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2733 4.4225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6464 -1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -1.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2975 -2.1243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5361 2.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1663 3.3864 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 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 8 18 1 0 0 0 0 3 19 1 0 0 0 0 20 21 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 20 1 0 0 0 0 20 26 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 1 0 0 0 29 30 1 1 0 0 0 31 30 1 1 0 0 0 31 32 1 0 0 0 0 32 27 1 0 0 0 0 27 33 1 0 0 0 0 32 34 1 0 0 0 0 31 35 1 0 0 0 0 30 36 1 0 0 0 0 24 37 1 0 0 0 0 36 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 28 18 1 0 0 0 0 41 15 1 0 0 0 0 42 43 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 42 1 0 0 0 0 42 48 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 39 1 0 0 0 0 16 52 1 0 0 0 0 38 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 2 0 0 0 0 56 57 1 0 0 0 0 1 56 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 56 57 M SBL 1 1 62 M SMT 1 ^ OCH3 M SBV 1 62 0.5888 -0.3399 S SKP 5 ID FL5FCCGA0008 FORMULA C36H44O21 EXACTMASS 812.23750847 AVERAGEMASS 812.72196 SMILES OC(C(C)1)C(C(C(OC(C(O)2)C(C(OC2OCC(O3)C(C(O)C(C3OC(C6=O)=C(Oc(c65)cc(OC)cc5O)c(c4)ccc(O)c4O)O)O)C)OC(C)=O)O1)O)O M END