Mol:FL5FCCGA0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 57 62 0 0 0 0 0 0 0 0999 V2000 | + | 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 1.9549 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 | + | -2.9473 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 | + | -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 1.1452 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 | + | -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 | + | -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 | + | -0.8436 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 1.1452 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 | + | -0.1424 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 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 | + | -0.8436 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 | + | 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 | + | 1.2733 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 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 | + | 1.9880 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 | + | 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 | + | 0.5585 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 | + | 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 | + | -2.2461 -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 | + | 2.5338 -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 | + | 2.1107 -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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 1.7708 -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 | + | 1.7338 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 | + | 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 | + | 2.1243 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 3.3264 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 | + | 3.5140 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 0.8178 -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 | + | 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 | + | 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 | + | 2.0270 -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 | + | 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 | + | 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 | + | 0.1119 -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 | + | -0.1754 -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 | + | 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 | + | 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 | + | 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 | + | 0.6464 -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 | + | 0.1680 -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 | + | 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 | + | -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 | + | -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 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 31 30 1 1 0 0 0 | + | 31 30 1 1 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 27 1 0 0 0 0 | + | 32 27 1 0 0 0 0 |
| − | 27 33 1 0 0 0 0 | + | 27 33 1 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 31 35 1 0 0 0 0 | + | 31 35 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 24 37 1 0 0 0 0 | + | 24 37 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 21 38 1 0 0 0 0 | + | 21 38 1 0 0 0 0 |
| − | 22 39 1 0 0 0 0 | + | 22 39 1 0 0 0 0 |
| − | 23 40 1 0 0 0 0 | + | 23 40 1 0 0 0 0 |
| − | 28 18 1 0 0 0 0 | + | 28 18 1 0 0 0 0 |
| − | 41 15 1 0 0 0 0 | + | 41 15 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 43 44 1 1 0 0 0 | + | 43 44 1 1 0 0 0 |
| − | 44 45 1 1 0 0 0 | + | 44 45 1 1 0 0 0 |
| − | 46 45 1 1 0 0 0 | + | 46 45 1 1 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 42 1 0 0 0 0 | + | 47 42 1 0 0 0 0 |
| − | 42 48 1 0 0 0 0 | + | 42 48 1 0 0 0 0 |
| − | 43 49 1 0 0 0 0 | + | 43 49 1 0 0 0 0 |
| − | 44 50 1 0 0 0 0 | + | 44 50 1 0 0 0 0 |
| − | 45 51 1 0 0 0 0 | + | 45 51 1 0 0 0 0 |
| − | 46 39 1 0 0 0 0 | + | 46 39 1 0 0 0 0 |
| − | 16 52 1 0 0 0 0 | + | 16 52 1 0 0 0 0 |
| − | 38 53 1 0 0 0 0 | + | 38 53 1 0 0 0 0 |
| − | 53 54 1 0 0 0 0 | + | 53 54 1 0 0 0 0 |
| − | 53 55 2 0 0 0 0 | + | 53 55 2 0 0 0 0 |
| − | 56 57 1 0 0 0 0 | + | 56 57 1 0 0 0 0 |
| − | 1 56 1 0 0 0 0 | + | 1 56 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 56 57 | + | M SAL 1 2 56 57 |
| − | M SBL 1 1 62 | + | M SBL 1 1 62 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 62 0.5888 -0.3399 | + | M SBV 1 62 0.5888 -0.3399 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FCCGA0008 | + | ID FL5FCCGA0008 |
| − | FORMULA C36H44O21 | + | FORMULA C36H44O21 |
| − | EXACTMASS 812.23750847 | + | EXACTMASS 812.23750847 |
| − | AVERAGEMASS 812.72196 | + | 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 | + | 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 | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
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
