Mol:FL7AAIGL0014
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -2.2656 1.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2656 1.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2656 1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2656 1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5507 0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5507 0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8359 1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8359 1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8359 1.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8359 1.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5507 2.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5507 2.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1210 0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1210 0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5939 1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5939 1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5938 1.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5938 1.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1211 2.3900 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.1211 2.3900 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3084 2.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3084 2.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0370 1.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0370 1.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7655 2.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7655 2.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7655 3.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7655 3.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0371 3.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0371 3.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3084 3.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3084 3.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9801 2.3898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9801 2.3898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5391 3.6777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5391 3.6777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5507 -0.0860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5507 -0.0860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5533 0.6681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5533 0.6681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7881 -2.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7881 -2.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4435 -3.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4435 -3.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1063 -3.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1063 -3.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7730 -3.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7730 -3.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1178 -2.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1178 -2.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4550 -2.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4550 -2.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0431 -2.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0431 -2.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1551 -0.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1551 -0.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4659 -0.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4659 -0.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9612 -0.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9612 -0.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1306 -1.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1306 -1.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8200 -1.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8200 -1.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3246 -0.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3246 -0.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0946 0.5444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0946 0.5444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0887 -0.7847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0887 -0.7847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9338 -1.9119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9338 -1.9119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4892 -1.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4892 -1.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0063 -2.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0063 -2.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0169 -3.3495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0169 -3.3495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7638 -3.8006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7638 -3.8006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7730 -3.9808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7730 -3.9808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3569 -4.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3569 -4.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1112 -4.8823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1112 -4.8823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1483 -4.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1483 -4.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5421 -4.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5421 -4.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2871 -4.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2871 -4.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7000 -4.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7000 -4.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5254 -4.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5254 -4.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9383 -4.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9383 -4.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5254 -5.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5254 -5.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6999 -5.6128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6999 -5.6128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7630 -4.9148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7630 -4.9148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0371 4.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0371 4.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6044 5.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6044 5.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4779 1.9786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4779 1.9786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7630 1.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7630 1.9785 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
| − | 28 34 1 0 0 0 0 | + | 28 34 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 25 38 1 0 0 0 0 | + | 25 38 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 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 |
| − | 24 41 1 0 0 0 0 | + | 24 41 1 0 0 0 0 |
| − | 29 20 1 0 0 0 0 | + | 29 20 1 0 0 0 0 |
| − | 42 43 2 0 0 0 0 | + | 42 43 2 0 0 0 0 |
| − | 42 44 1 0 0 0 0 | + | 42 44 1 0 0 0 0 |
| − | 44 45 2 0 0 0 0 | + | 44 45 2 0 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
| − | 46 47 2 0 0 0 0 | + | 46 47 2 0 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 49 2 0 0 0 0 | + | 48 49 2 0 0 0 0 |
| − | 49 50 1 0 0 0 0 | + | 49 50 1 0 0 0 0 |
| − | 50 51 2 0 0 0 0 | + | 50 51 2 0 0 0 0 |
| − | 51 46 1 0 0 0 0 | + | 51 46 1 0 0 0 0 |
| − | 49 52 1 0 0 0 0 | + | 49 52 1 0 0 0 0 |
| − | 42 39 1 0 0 0 0 | + | 42 39 1 0 0 0 0 |
| − | 53 54 1 0 0 0 0 | + | 53 54 1 0 0 0 0 |
| − | 15 53 1 0 0 0 0 | + | 15 53 1 0 0 0 0 |
| − | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
| − | 13 55 1 0 0 0 0 | + | 13 55 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 53 54 | + | M SAL 1 2 53 54 |
| − | M SBL 1 1 59 | + | M SBL 1 1 59 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 59 0.0000 -0.8119 | + | M SBV 1 59 0.0000 -0.8119 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 55 56 | + | M SAL 2 2 55 56 |
| − | M SBL 2 1 61 | + | M SBL 2 1 61 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 61 -0.7125 0.4113 | + | M SBV 2 61 -0.7125 0.4113 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAIGL0014 | + | ID FL7AAIGL0014 |
| − | FORMULA C38H41O18 | + | FORMULA C38H41O18 |
| − | EXACTMASS 785.229289508 | + | EXACTMASS 785.229289508 |
| − | AVERAGEMASS 785.72134 | + | AVERAGEMASS 785.72134 |
| − | SMILES c(c6)c(ccc6O)C=CC(=O)OC(C1O)C(OC(OCC(C5O)OC(C(C(O)5)O)Oc(c(c(c4)cc(c(O)c(OC)4)OC)2)cc(c3O)c(cc(c3)O)[o+1]2)C1O)C | + | SMILES c(c6)c(ccc6O)C=CC(=O)OC(C1O)C(OC(OCC(C5O)OC(C(C(O)5)O)Oc(c(c(c4)cc(c(O)c(OC)4)OC)2)cc(c3O)c(cc(c3)O)[o+1]2)C1O)C |
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
-2.2656 1.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2656 1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5507 0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8359 1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8359 1.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5507 2.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1210 0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5939 1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5938 1.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1211 2.3900 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.3084 2.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0370 1.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7655 2.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7655 3.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0371 3.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3084 3.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9801 2.3898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5391 3.6777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5507 -0.0860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5533 0.6681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7881 -2.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4435 -3.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1063 -3.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7730 -3.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1178 -2.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4550 -2.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0431 -2.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1551 -0.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4659 -0.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9612 -0.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1306 -1.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8200 -1.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3246 -0.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0946 0.5444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0887 -0.7847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9338 -1.9119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4892 -1.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0063 -2.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0169 -3.3495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7638 -3.8006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7730 -3.9808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3569 -4.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1112 -4.8823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1483 -4.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5421 -4.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2871 -4.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7000 -4.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5254 -4.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9383 -4.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5254 -5.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6999 -5.6128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7630 -4.9148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0371 4.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6044 5.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4779 1.9786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7630 1.9785 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
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 20 1 0 0 0 0
42 43 2 0 0 0 0
42 44 1 0 0 0 0
44 45 2 0 0 0 0
45 46 1 0 0 0 0
46 47 2 0 0 0 0
47 48 1 0 0 0 0
48 49 2 0 0 0 0
49 50 1 0 0 0 0
50 51 2 0 0 0 0
51 46 1 0 0 0 0
49 52 1 0 0 0 0
42 39 1 0 0 0 0
53 54 1 0 0 0 0
15 53 1 0 0 0 0
55 56 1 0 0 0 0
13 55 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 53 54
M SBL 1 1 59
M SMT 1 OCH3
M SBV 1 59 0.0000 -0.8119
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 55 56
M SBL 2 1 61
M SMT 2 OCH3
M SBV 2 61 -0.7125 0.4113
S SKP 5
ID FL7AAIGL0014
FORMULA C38H41O18
EXACTMASS 785.229289508
AVERAGEMASS 785.72134
SMILES c(c6)c(ccc6O)C=CC(=O)OC(C1O)C(OC(OCC(C5O)OC(C(C(O)5)O)Oc(c(c(c4)cc(c(O)c(OC)4)OC)2)cc(c3O)c(cc(c3)O)[o+1]2)C1O)C
M END
