Mol:FL3FCFCS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 48 52 0 0 0 0 0 0 0 0999 V2000 | + | 48 52 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8086 0.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8086 0.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8086 0.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8086 0.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0941 -0.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0941 -0.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3796 0.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3796 0.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3796 0.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3796 0.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0941 1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0941 1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3349 -0.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3349 -0.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0494 0.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0494 0.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0494 0.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0494 0.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3349 1.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3349 1.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3349 -0.9985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3349 -0.9985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0941 -1.1799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0941 -1.1799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8432 1.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8432 1.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5961 0.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5961 0.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3490 1.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3490 1.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3490 2.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3490 2.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5961 2.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5961 2.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8432 2.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8432 2.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2178 0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2178 0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7731 -0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7731 -0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1326 -0.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1326 -0.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4653 -0.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4653 -0.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9637 0.2436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9637 0.2436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6179 0.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6179 0.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8295 -0.0112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8295 -0.0112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4889 -0.3323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4889 -0.3323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4549 -0.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4549 -0.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6934 -1.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6934 -1.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0278 -2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0278 -2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3848 -1.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3848 -1.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7380 -2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7380 -2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4036 -1.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4036 -1.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0466 -1.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0466 -1.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2705 -1.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2705 -1.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4887 -1.8886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4887 -1.8886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8700 -2.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8700 -2.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6963 -2.6254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6963 -2.6254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0833 0.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0833 0.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8486 1.2148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8486 1.2148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5506 1.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5506 1.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1626 1.1992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1626 1.1992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5446 2.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5446 2.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4105 1.2013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4105 1.2013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0529 2.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0529 2.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1014 2.6251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1014 2.6251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0192 2.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0192 2.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0502 0.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0502 0.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1626 0.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1626 0.2418 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 |
| − | 3 12 1 0 0 0 0 | + | 3 12 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 13 9 1 0 0 0 0 | + | 13 9 1 0 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 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 |
| − | 29 35 1 0 0 0 0 | + | 29 35 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 32 27 1 0 0 0 0 | + | 32 27 1 0 0 0 0 |
| − | 22 2 1 0 0 0 0 | + | 22 2 1 0 0 0 0 |
| − | 24 38 1 0 0 0 0 | + | 24 38 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 41 2 0 0 0 0 | + | 40 41 2 0 0 0 0 |
| − | 40 42 1 0 0 0 0 | + | 40 42 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 1 43 1 0 0 0 0 | + | 1 43 1 0 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
| − | 16 45 1 0 0 0 0 | + | 16 45 1 0 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 15 47 1 0 0 0 0 | + | 15 47 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 43 44 | + | M SAL 1 2 43 44 |
| − | M SBL 1 1 48 | + | M SBL 1 1 48 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 48 0.6019 -0.3189 | + | M SBV 1 48 0.6019 -0.3189 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 45 46 | + | M SAL 2 2 45 46 |
| − | M SBL 2 1 50 | + | M SBL 2 1 50 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 50 -0.7524 -0.4344 | + | M SBV 2 50 -0.7524 -0.4344 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 47 48 | + | M SAL 3 2 47 48 |
| − | M SBL 3 1 52 | + | M SBL 3 1 52 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SBV 3 52 -0.7012 0.4373 | + | M SBV 3 52 -0.7012 0.4373 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FCFCS0003 | + | ID FL3FCFCS0003 |
| − | FORMULA C32H38O16 | + | FORMULA C32H38O16 |
| − | EXACTMASS 678.215985168 | + | EXACTMASS 678.215985168 |
| − | AVERAGEMASS 678.63452 | + | AVERAGEMASS 678.63452 |
| − | SMILES c(OC)(c1)c(OC)ccc(C(=C5)Oc(c(C5=O)2)cc(OC)c(C(C3OC(C4O)OC(C)C(C4O)O)OC(C(O)C(O)3)COC(C)=O)c(O)2)1 | + | SMILES c(OC)(c1)c(OC)ccc(C(=C5)Oc(c(C5=O)2)cc(OC)c(C(C3OC(C4O)OC(C)C(C4O)O)OC(C(O)C(O)3)COC(C)=O)c(O)2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
48 52 0 0 0 0 0 0 0 0999 V2000
-1.8086 0.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8086 0.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0941 -0.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3796 0.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3796 0.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0941 1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3349 -0.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0494 0.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0494 0.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3349 1.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3349 -0.9985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0941 -1.1799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8432 1.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5961 0.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3490 1.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3490 2.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5961 2.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8432 2.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2178 0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7731 -0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1326 -0.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4653 -0.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9637 0.2436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6179 0.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8295 -0.0112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4889 -0.3323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4549 -0.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6934 -1.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0278 -2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3848 -1.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7380 -2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4036 -1.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0466 -1.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2705 -1.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4887 -1.8886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8700 -2.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6963 -2.6254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0833 0.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8486 1.2148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5506 1.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1626 1.1992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5446 2.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4105 1.2013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0529 2.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1014 2.6251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0192 2.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0502 0.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1626 0.2418 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
3 12 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
13 9 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 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
29 35 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 27 1 0 0 0 0
22 2 1 0 0 0 0
24 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
40 42 1 0 0 0 0
43 44 1 0 0 0 0
1 43 1 0 0 0 0
45 46 1 0 0 0 0
16 45 1 0 0 0 0
47 48 1 0 0 0 0
15 47 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 43 44
M SBL 1 1 48
M SMT 1 ^ OCH3
M SBV 1 48 0.6019 -0.3189
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 45 46
M SBL 2 1 50
M SMT 2 OCH3
M SBV 2 50 -0.7524 -0.4344
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 47 48
M SBL 3 1 52
M SMT 3 OCH3
M SBV 3 52 -0.7012 0.4373
S SKP 5
ID FL3FCFCS0003
FORMULA C32H38O16
EXACTMASS 678.215985168
AVERAGEMASS 678.63452
SMILES c(OC)(c1)c(OC)ccc(C(=C5)Oc(c(C5=O)2)cc(OC)c(C(C3OC(C4O)OC(C)C(C4O)O)OC(C(O)C(O)3)COC(C)=O)c(O)2)1
M END
