Mol:FL5FAAGL0034
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 52 57 0 0 0 0 0 0 0 0999 V2000 | + | 52 57 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9698 2.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9698 2.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9698 1.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9698 1.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2687 1.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2687 1.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5676 1.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5676 1.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5676 2.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5676 2.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2687 2.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2687 2.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1335 1.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1335 1.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8346 1.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8346 1.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8346 2.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8346 2.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1335 2.7360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1335 2.7360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1335 0.3303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1335 0.3303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5355 2.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5355 2.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2500 2.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2500 2.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9646 2.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9646 2.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9646 3.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9646 3.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2500 3.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2500 3.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5355 3.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5355 3.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2687 0.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2687 0.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6707 2.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6707 2.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6789 3.9734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6789 3.9734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6707 1.0308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6707 1.0308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3046 -0.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3046 -0.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4584 0.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4584 0.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7269 -0.4871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7269 -0.4871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4584 -1.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4584 -1.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3046 -1.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3046 -1.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0361 -0.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0361 -0.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2468 0.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2468 0.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7283 -1.4934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7283 -1.4934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2571 1.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2571 1.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8148 0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8148 0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6176 0.8922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6176 0.8922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3923 0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3923 0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8293 1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8293 1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1270 1.0929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1270 1.0929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0899 0.5799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0899 0.5799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2440 0.3248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2440 0.3248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9082 1.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9082 1.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1729 2.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1729 2.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5625 1.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5625 1.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7757 1.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7757 1.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2506 2.2878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2506 2.2878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2088 2.7440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2088 2.7440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5625 2.3140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5625 2.3140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7757 1.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7757 1.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1558 -2.3918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1558 -2.3918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1729 1.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1729 1.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.9082 2.0148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.9082 2.0148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4546 1.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4546 1.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2183 2.9258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2183 2.9258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5679 -2.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5679 -2.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5080 -3.9735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5080 -3.9735 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 |
| − | 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 23 21 1 0 0 0 0 | + | 23 21 1 0 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 31 36 1 0 0 0 0 | + | 31 36 1 0 0 0 0 |
| − | 32 37 1 0 0 0 0 | + | 32 37 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 39 40 1 1 0 0 0 | + | 39 40 1 1 0 0 0 |
| − | 40 41 1 1 0 0 0 | + | 40 41 1 1 0 0 0 |
| − | 42 41 1 1 0 0 0 | + | 42 41 1 1 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 43 39 1 0 0 0 0 | + | 43 39 1 0 0 0 0 |
| − | 40 44 1 0 0 0 0 | + | 40 44 1 0 0 0 0 |
| − | 41 45 1 0 0 0 0 | + | 41 45 1 0 0 0 0 |
| − | 42 19 1 0 0 0 0 | + | 42 19 1 0 0 0 0 |
| − | 26 46 1 0 0 0 0 | + | 26 46 1 0 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 39 47 1 0 0 0 0 | + | 39 47 1 0 0 0 0 |
| − | 49 50 1 0 0 0 0 | + | 49 50 1 0 0 0 0 |
| − | 34 49 1 0 0 0 0 | + | 34 49 1 0 0 0 0 |
| − | 51 52 1 0 0 0 0 | + | 51 52 1 0 0 0 0 |
| − | 25 51 1 0 0 0 0 | + | 25 51 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 47 48 | + | M SAL 1 2 47 48 |
| − | M SBL 1 1 53 | + | M SBL 1 1 53 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 53 0.0000 1.0215 | + | M SBV 1 53 0.0000 1.0215 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 49 50 | + | M SAL 2 2 49 50 |
| − | M SBL 2 1 55 | + | M SBL 2 1 55 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SBV 2 55 -0.6253 -0.2241 | + | M SBV 2 55 -0.6253 -0.2241 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 51 52 | + | M SAL 3 2 51 52 |
| − | M SBL 3 1 57 | + | M SBL 3 1 57 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SBV 3 57 -0.1095 1.2823 | + | M SBV 3 57 -0.1095 1.2823 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGL0034 | + | ID FL5FAAGL0034 |
| − | FORMULA C32H38O20 | + | FORMULA C32H38O20 |
| − | EXACTMASS 742.1956436559999 | + | EXACTMASS 742.1956436559999 |
| − | AVERAGEMASS 742.63212 | + | AVERAGEMASS 742.63212 |
| − | SMILES C(C(O1)C(C(O)C(Oc(c6)cc(c2c6O)OC(c(c5)ccc(O)c5)=C(OC(O4)C(C(O)C(C(CO)4)O)OC(O3)C(C(O)C(C(CO)3)O)O)C2=O)1)O)O | + | SMILES C(C(O1)C(C(O)C(Oc(c6)cc(c2c6O)OC(c(c5)ccc(O)c5)=C(OC(O4)C(C(O)C(C(CO)4)O)OC(O3)C(C(O)C(C(CO)3)O)O)C2=O)1)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
52 57 0 0 0 0 0 0 0 0999 V2000
-1.9698 2.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9698 1.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2687 1.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5676 1.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5676 2.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2687 2.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1335 1.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8346 1.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8346 2.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1335 2.7360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1335 0.3303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5355 2.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 2.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9646 2.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9646 3.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 3.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5355 3.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2687 0.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6707 2.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6789 3.9734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6707 1.0308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3046 -0.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4584 0.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7269 -0.4871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4584 -1.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3046 -1.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0361 -0.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2468 0.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7283 -1.4934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2571 1.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8148 0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6176 0.8922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3923 0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8293 1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1270 1.0929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0899 0.5799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2440 0.3248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9082 1.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1729 2.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5625 1.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7757 1.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2506 2.2878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2088 2.7440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5625 2.3140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7757 1.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1558 -2.3918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1729 1.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9082 2.0148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4546 1.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2183 2.9258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5679 -2.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5080 -3.9735 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
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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
8 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
23 21 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
31 36 1 0 0 0 0
32 37 1 0 0 0 0
28 30 1 0 0 0 0
33 38 1 0 0 0 0
39 40 1 1 0 0 0
40 41 1 1 0 0 0
42 41 1 1 0 0 0
42 43 1 0 0 0 0
43 39 1 0 0 0 0
40 44 1 0 0 0 0
41 45 1 0 0 0 0
42 19 1 0 0 0 0
26 46 1 0 0 0 0
47 48 1 0 0 0 0
39 47 1 0 0 0 0
49 50 1 0 0 0 0
34 49 1 0 0 0 0
51 52 1 0 0 0 0
25 51 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 47 48
M SBL 1 1 53
M SMT 1 CH2OH
M SBV 1 53 0.0000 1.0215
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 49 50
M SBL 2 1 55
M SMT 2 CH2OH
M SBV 2 55 -0.6253 -0.2241
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 51 52
M SBL 3 1 57
M SMT 3 CH2OH
M SBV 3 57 -0.1095 1.2823
S SKP 5
ID FL5FAAGL0034
FORMULA C32H38O20
EXACTMASS 742.1956436559999
AVERAGEMASS 742.63212
SMILES C(C(O1)C(C(O)C(Oc(c6)cc(c2c6O)OC(c(c5)ccc(O)c5)=C(OC(O4)C(C(O)C(C(CO)4)O)OC(O3)C(C(O)C(C(CO)3)O)O)C2=O)1)O)O
M END
