Mol:FL5FGCGA0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 58 63 0 0 0 0 0 0 0 0999 V2000 | + | 58 63 0 0 0 0 0 0 0 0999 V2000 |
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| − | -1.2803 1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2803 1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5658 1.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5658 1.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1487 1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1487 1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.9947 1.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9947 1.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5658 0.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5658 0.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8631 2.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8631 2.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5776 2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5776 2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2921 2.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2921 2.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2921 3.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2921 3.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5776 4.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5776 4.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8631 3.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8631 3.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0066 4.0555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0066 4.0555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0066 2.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0066 2.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9947 3.6391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9947 3.6391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4237 2.8180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4237 2.8180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4237 1.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4237 1.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9947 0.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9947 0.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7210 2.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7210 2.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1382 1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1382 1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7092 4.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7092 4.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9608 -1.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9608 -1.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3733 -0.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3733 -0.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7932 -0.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7932 -0.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5776 0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5776 0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1651 0.0411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1651 0.0411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7452 -0.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7452 -0.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6022 -1.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6022 -1.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8631 1.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8631 1.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2057 0.6785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2057 0.6785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4746 -1.3797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4746 -1.3797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9545 -1.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9545 -1.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3712 -1.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3712 -1.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6544 -1.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6544 -1.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1659 -1.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1659 -1.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4174 -0.6767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4174 -0.6767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1342 -1.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1342 -1.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6117 -0.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6117 -0.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7713 -0.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7713 -0.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0710 -1.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0710 -1.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0542 -1.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0542 -1.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9512 -0.6930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9512 -0.6930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2598 -0.2969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2598 -0.2969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5121 -3.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5121 -3.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9246 -3.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9246 -3.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3445 -2.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3445 -2.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1290 -1.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1290 -1.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7164 -2.5729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7164 -2.5729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2965 -3.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2965 -3.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5521 -1.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5521 -1.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1382 -4.0335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1382 -4.0335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0465 -4.0555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0465 -4.0555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5868 -1.4195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5868 -1.4195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 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 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 10 2 1 0 0 0 0 |
| − | 3 11 2 0 0 0 0 | + | 3 11 2 0 0 0 0 |
| − | 5 12 1 0 0 0 0 | + | 5 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 7 20 1 0 0 0 0 | + | 7 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 9 22 1 0 0 0 0 | + | 9 22 1 0 0 0 0 |
| − | 10 23 1 0 0 0 0 | + | 10 23 1 0 0 0 0 |
| − | 4 34 1 0 0 0 0 | + | 4 34 1 0 0 0 0 |
| − | 19 24 1 0 0 0 0 | + | 19 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
| − | 30 29 1 1 0 0 0 | + | 30 29 1 1 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 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 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 30 34 1 0 0 0 0 | + | 30 34 1 0 0 0 0 |
| − | 28 58 1 0 0 0 0 | + | 28 58 1 0 0 0 0 |
| − | 29 35 1 0 0 0 0 | + | 29 35 1 0 0 0 0 |
| − | 27 36 1 0 0 0 0 | + | 27 36 1 0 0 0 0 |
| − | 33 44 1 0 0 0 0 | + | 33 44 1 0 0 0 0 |
| − | 37 38 1 1 0 0 0 | + | 37 38 1 1 0 0 0 |
| − | 38 39 1 1 0 0 0 | + | 38 39 1 1 0 0 0 |
| − | 40 39 1 1 0 0 0 | + | 40 39 1 1 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 42 37 1 0 0 0 0 | + | 42 37 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 40 44 1 0 0 0 0 | + | 40 44 1 0 0 0 0 |
| − | 38 45 1 0 0 0 0 | + | 38 45 1 0 0 0 0 |
| − | 39 46 1 0 0 0 0 | + | 39 46 1 0 0 0 0 |
| − | 37 47 1 0 0 0 0 | + | 37 47 1 0 0 0 0 |
| − | 43 48 1 0 0 0 0 | + | 43 48 1 0 0 0 0 |
| − | 49 50 1 1 0 0 0 | + | 49 50 1 1 0 0 0 |
| − | 50 51 1 1 0 0 0 | + | 50 51 1 1 0 0 0 |
| − | 52 51 1 1 0 0 0 | + | 52 51 1 1 0 0 0 |
| − | 52 53 1 0 0 0 0 | + | 52 53 1 0 0 0 0 |
| − | 53 54 1 0 0 0 0 | + | 53 54 1 0 0 0 0 |
| − | 54 49 1 0 0 0 0 | + | 54 49 1 0 0 0 0 |
| − | 51 55 1 0 0 0 0 | + | 51 55 1 0 0 0 0 |
| − | 50 56 1 0 0 0 0 | + | 50 56 1 0 0 0 0 |
| − | 49 57 1 0 0 0 0 | + | 49 57 1 0 0 0 0 |
| − | 52 58 1 0 0 0 0 | + | 52 58 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FGCGA0002 | + | ID FL5FGCGA0002 |
| − | FORMULA C35H44O23 | + | FORMULA C35H44O23 |
| − | EXACTMASS 832.227337714 | + | EXACTMASS 832.227337714 |
| − | AVERAGEMASS 832.71006 | + | AVERAGEMASS 832.71006 |
| − | SMILES C(=C2c(c6)ccc(c6OC)O)(OC(C(O)4)OC(C(O)C(OC(O5)C(O)C(O)C(O)C5)4)COC(C3O)OC(C(C3O)O)CO)C(=O)c(c(O)1)c(O2)c(OC)c(c1OC)O | + | SMILES C(=C2c(c6)ccc(c6OC)O)(OC(C(O)4)OC(C(O)C(OC(O5)C(O)C(O)C(O)C5)4)COC(C3O)OC(C(C3O)O)CO)C(=O)c(c(O)1)c(O2)c(OC)c(c1OC)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
58 63 0 0 0 0 0 0 0 0999 V2000
-1.2803 2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2803 1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5658 1.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1487 1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1487 2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5658 2.8180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9947 2.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7092 2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7092 1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9947 1.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5658 0.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8631 2.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5776 2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2921 2.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2921 3.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5776 4.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8631 3.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0066 4.0555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0066 2.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9947 3.6391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4237 2.8180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4237 1.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9947 0.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7210 2.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1382 1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7092 4.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9608 -1.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3733 -0.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7932 -0.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5776 0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1651 0.0411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7452 -0.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6022 -1.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8631 1.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2057 0.6785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4746 -1.3797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9545 -1.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3712 -1.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6544 -1.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1659 -1.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4174 -0.6767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1342 -1.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6117 -0.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7713 -0.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0710 -1.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0542 -1.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9512 -0.6930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2598 -0.2969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5121 -3.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9246 -3.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3445 -2.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1290 -1.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7164 -2.5729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2965 -3.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5521 -1.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1382 -4.0335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0465 -4.0555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5868 -1.4195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 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 1 0 0 0 0
1 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 2 1 0 0 0 0
3 11 2 0 0 0 0
5 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
15 18 1 0 0 0 0
14 19 1 0 0 0 0
7 20 1 0 0 0 0
8 21 1 0 0 0 0
9 22 1 0 0 0 0
10 23 1 0 0 0 0
4 34 1 0 0 0 0
19 24 1 0 0 0 0
22 25 1 0 0 0 0
20 26 1 0 0 0 0
27 28 1 1 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 27 1 0 0 0 0
32 33 1 0 0 0 0
30 34 1 0 0 0 0
28 58 1 0 0 0 0
29 35 1 0 0 0 0
27 36 1 0 0 0 0
33 44 1 0 0 0 0
37 38 1 1 0 0 0
38 39 1 1 0 0 0
40 39 1 1 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 37 1 0 0 0 0
42 43 1 0 0 0 0
40 44 1 0 0 0 0
38 45 1 0 0 0 0
39 46 1 0 0 0 0
37 47 1 0 0 0 0
43 48 1 0 0 0 0
49 50 1 1 0 0 0
50 51 1 1 0 0 0
52 51 1 1 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 49 1 0 0 0 0
51 55 1 0 0 0 0
50 56 1 0 0 0 0
49 57 1 0 0 0 0
52 58 1 0 0 0 0
S SKP 5
ID FL5FGCGA0002
FORMULA C35H44O23
EXACTMASS 832.227337714
AVERAGEMASS 832.71006
SMILES C(=C2c(c6)ccc(c6OC)O)(OC(C(O)4)OC(C(O)C(OC(O5)C(O)C(O)C(O)C5)4)COC(C3O)OC(C(C3O)O)CO)C(=O)c(c(O)1)c(O2)c(OC)c(c1OC)O
M END
