Mol:FL5FFCGL0003
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 56 61 0 0 0 0 0 0 0 0999 V2000 | + | 56 61 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.7546 0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7546 0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7546 0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7546 0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0400 -0.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0400 -0.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3255 0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3255 0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3255 0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3255 0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0400 1.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0400 1.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6110 -0.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6110 -0.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1035 0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1035 0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1035 0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1035 0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6110 1.2638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6110 1.2638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6110 -1.0295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6110 -1.0295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0032 1.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0032 1.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7315 1.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7315 1.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4598 1.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4598 1.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4598 2.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4598 2.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7315 2.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7315 2.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0032 2.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0032 2.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0400 -1.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0400 -1.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2391 2.7135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2391 2.7135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6080 1.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6080 1.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7149 -0.4220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7149 -0.4220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7315 3.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7315 3.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3792 -1.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3792 -1.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5867 -1.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5867 -1.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0086 -1.7159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0086 -1.7159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9964 -2.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9964 -2.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7889 -2.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7889 -2.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3669 -2.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3669 -2.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2571 -0.5454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2571 -0.5454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9669 -2.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9669 -2.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7376 -3.2150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7376 -3.2150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0024 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0024 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5183 -0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5183 -0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2614 -0.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2614 -0.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9782 -0.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9782 -0.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4572 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4572 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8073 -0.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8073 -0.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9836 -0.8451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9836 -0.8451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9153 -1.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9153 -1.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3836 -0.3143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3836 -0.3143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0400 2.0886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0400 2.0886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2196 3.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2196 3.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1215 2.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1215 2.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3935 2.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3935 2.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8161 2.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8161 2.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9923 2.7615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9923 2.7615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6709 2.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6709 2.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9032 3.3395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9032 3.3395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7237 2.8701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7237 2.8701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1341 1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1341 1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1338 -3.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1338 -3.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1411 -4.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1411 -4.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8082 3.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8082 3.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1660 4.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1660 4.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1539 0.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1539 0.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9032 0.8573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9032 0.8573 0.0000 O 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 |
| − | 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 24 21 1 0 0 0 0 | + | 24 21 1 0 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | 6 41 1 0 0 0 0 | + | 6 41 1 0 0 0 0 |
| − | 42 43 1 1 0 0 0 | + | 42 43 1 1 0 0 0 |
| − | 43 44 1 1 0 0 0 | + | 43 44 1 1 0 0 0 |
| − | 45 44 1 1 0 0 0 | + | 45 44 1 1 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 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 |
| − | 41 45 1 0 0 0 0 | + | 41 45 1 0 0 0 0 |
| − | 51 52 1 0 0 0 0 | + | 51 52 1 0 0 0 0 |
| − | 26 51 1 0 0 0 0 | + | 26 51 1 0 0 0 0 |
| − | 53 54 1 0 0 0 0 | + | 53 54 1 0 0 0 0 |
| − | 47 53 1 0 0 0 0 | + | 47 53 1 0 0 0 0 |
| − | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
| − | 36 55 1 0 0 0 0 | + | 36 55 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 51 52 | + | M SAL 1 2 51 52 |
| − | M SBL 1 1 57 | + | M SBL 1 1 57 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 57 -0.1375 0.9183 | + | M SBV 1 57 -0.1375 0.9183 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 53 54 | + | M SAL 2 2 53 54 |
| − | M SBL 2 1 59 | + | M SBL 2 1 59 |
| − | M SMT 2 ^ CH2OH | + | M SMT 2 ^ CH2OH |
| − | M SBV 2 59 0.1373 -0.8442 | + | M SBV 2 59 0.1373 -0.8442 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 55 56 | + | M SAL 3 2 55 56 |
| − | M SBL 3 1 61 | + | M SBL 3 1 61 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SBV 3 61 -0.6967 -0.1568 | + | M SBV 3 61 -0.6967 -0.1568 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FFCGL0003 | + | ID FL5FFCGL0003 |
| − | FORMULA C33H40O23 | + | FORMULA C33H40O23 |
| − | EXACTMASS 804.196037586 | + | EXACTMASS 804.196037586 |
| − | AVERAGEMASS 804.6569 | + | AVERAGEMASS 804.6569 |
| − | SMILES OC(C(CO)1)C(O)C(O)C(OC(C6O)C(OC(C6O)CO)OC(C(=O)4)=C(c(c5)ccc(c(O)5)O)Oc(c24)c(OC(O3)C(C(C(O)C3CO)O)O)c(cc(O)2)O)O1 | + | SMILES OC(C(CO)1)C(O)C(O)C(OC(C6O)C(OC(C6O)CO)OC(C(=O)4)=C(c(c5)ccc(c(O)5)O)Oc(c24)c(OC(O3)C(C(C(O)C3CO)O)O)c(cc(O)2)O)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
56 61 0 0 0 0 0 0 0 0999 V2000
-2.7546 0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7546 0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0400 -0.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3255 0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3255 0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0400 1.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6110 -0.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1035 0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1035 0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6110 1.2638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6110 -1.0295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0032 1.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7315 1.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4598 1.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4598 2.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7315 2.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0032 2.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0400 -1.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2391 2.7135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6080 1.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7149 -0.4220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7315 3.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3792 -1.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5867 -1.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0086 -1.7159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9964 -2.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7889 -2.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3669 -2.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2571 -0.5454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9669 -2.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7376 -3.2150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0024 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5183 -0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2614 -0.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9782 -0.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4572 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8073 -0.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9836 -0.8451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9153 -1.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3836 -0.3143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0400 2.0886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2196 3.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1215 2.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3935 2.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8161 2.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9923 2.7615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6709 2.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9032 3.3395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7237 2.8701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1341 1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1338 -3.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1411 -4.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8082 3.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1660 4.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1539 0.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9032 0.8573 0.0000 O 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
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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
4 3 1 0 0 0 0
1 20 1 0 0 0 0
21 8 1 0 0 0 0
16 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
24 21 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
33 38 1 0 0 0 0
34 39 1 0 0 0 0
35 40 1 0 0 0 0
29 32 1 0 0 0 0
6 41 1 0 0 0 0
42 43 1 1 0 0 0
43 44 1 1 0 0 0
45 44 1 1 0 0 0
45 46 1 0 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
41 45 1 0 0 0 0
51 52 1 0 0 0 0
26 51 1 0 0 0 0
53 54 1 0 0 0 0
47 53 1 0 0 0 0
55 56 1 0 0 0 0
36 55 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 51 52
M SBL 1 1 57
M SMT 1 CH2OH
M SBV 1 57 -0.1375 0.9183
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 53 54
M SBL 2 1 59
M SMT 2 ^ CH2OH
M SBV 2 59 0.1373 -0.8442
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 55 56
M SBL 3 1 61
M SMT 3 CH2OH
M SBV 3 61 -0.6967 -0.1568
S SKP 5
ID FL5FFCGL0003
FORMULA C33H40O23
EXACTMASS 804.196037586
AVERAGEMASS 804.6569
SMILES OC(C(CO)1)C(O)C(O)C(OC(C6O)C(OC(C6O)CO)OC(C(=O)4)=C(c(c5)ccc(c(O)5)O)Oc(c24)c(OC(O3)C(C(C(O)C3CO)O)O)c(cc(O)2)O)O1
M END
