Mol:FL5FAGGA0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 54 59 0 0 0 0 0 0 0 0999 V2000 | + | 54 59 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8384 1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8384 1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8384 0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8384 0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1372 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1372 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4359 0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4359 0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4359 1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4359 1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1372 1.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1372 1.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2653 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2653 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9665 0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9665 0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9665 1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9665 1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2653 1.4133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2653 1.4133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2653 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2653 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6675 1.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6675 1.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3822 1.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3822 1.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0969 1.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0969 1.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0969 2.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0969 2.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3822 2.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3822 2.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6675 2.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6675 2.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5393 1.4131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5393 1.4131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4634 -0.2915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4634 -0.2915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1372 -1.0156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1372 -1.0156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1684 -2.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1684 -2.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7452 -3.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7452 -3.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5589 -2.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5589 -2.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3776 -3.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3776 -3.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8009 -2.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8009 -2.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9871 -2.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9871 -2.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3220 -2.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3220 -2.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7382 -0.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7382 -0.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1398 -0.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1398 -0.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9860 -0.6442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9860 -0.6442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7165 -1.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7165 -1.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3150 -0.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3150 -0.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4688 -0.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4688 -0.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0703 -0.0405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0703 -0.0405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8822 -0.1888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8822 -0.1888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3032 0.2764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3032 0.2764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4581 -1.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4581 -1.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6886 -1.6038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6886 -1.6038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1570 -2.8658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1570 -2.8658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0059 -3.4871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0059 -3.4871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3776 -3.8437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3776 -3.8437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8959 2.6997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8959 2.6997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3822 3.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3822 3.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8113 1.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8113 1.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1127 1.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1127 1.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3207 1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3207 1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5720 2.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5720 2.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3207 2.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3207 2.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1127 3.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1127 3.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8614 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8614 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7505 3.8437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7505 3.8437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3207 3.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3207 3.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5105 2.9801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5105 2.9801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8009 1.5604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8009 1.5604 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 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 19 1 0 0 0 0 | + | 29 19 1 0 0 0 0 |
| − | 42 15 1 0 0 0 0 | + | 42 15 1 0 0 0 0 |
| − | 16 43 1 0 0 0 0 | + | 16 43 1 0 0 0 0 |
| − | 14 44 1 0 0 0 0 | + | 14 44 1 0 0 0 0 |
| − | 46 45 1 1 0 0 0 | + | 46 45 1 1 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 50 1 1 0 0 0 | + | 49 50 1 1 0 0 0 |
| − | 50 45 1 1 0 0 0 | + | 50 45 1 1 0 0 0 |
| − | 49 51 1 0 0 0 0 | + | 49 51 1 0 0 0 0 |
| − | 48 52 1 0 0 0 0 | + | 48 52 1 0 0 0 0 |
| − | 50 53 1 0 0 0 0 | + | 50 53 1 0 0 0 0 |
| − | 45 54 1 0 0 0 0 | + | 45 54 1 0 0 0 0 |
| − | 46 18 1 0 0 0 0 | + | 46 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAGGA0005 | + | ID FL5FAGGA0005 |
| − | FORMULA C33H40O21 | + | FORMULA C33H40O21 |
| − | EXACTMASS 772.206208342 | + | EXACTMASS 772.206208342 |
| − | AVERAGEMASS 772.6581 | + | AVERAGEMASS 772.6581 |
| − | SMILES O=C(C(OC(C5O)OC(COC(C6O)OC(C(C6O)O)C)C(O)C5O)=3)c(c1OC3c(c4)cc(O)c(c(O)4)O)c(cc(OC(C(O)2)OC(C)C(C2O)O)c1)O | + | SMILES O=C(C(OC(C5O)OC(COC(C6O)OC(C(C6O)O)C)C(O)C5O)=3)c(c1OC3c(c4)cc(O)c(c(O)4)O)c(cc(OC(C(O)2)OC(C)C(C2O)O)c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
54 59 0 0 0 0 0 0 0 0999 V2000
-1.8384 1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8384 0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1372 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4359 0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4359 1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1372 1.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2653 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9665 0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9665 1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2653 1.4133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2653 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6675 1.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3822 1.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0969 1.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0969 2.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3822 2.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6675 2.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5393 1.4131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4634 -0.2915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1372 -1.0156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1684 -2.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7452 -3.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5589 -2.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3776 -3.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8009 -2.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9871 -2.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3220 -2.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7382 -0.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1398 -0.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9860 -0.6442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7165 -1.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3150 -0.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4688 -0.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0703 -0.0405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8822 -0.1888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3032 0.2764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4581 -1.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6886 -1.6038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1570 -2.8658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0059 -3.4871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3776 -3.8437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8959 2.6997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3822 3.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8113 1.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1127 1.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3207 1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5720 2.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3207 2.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1127 3.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8614 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7505 3.8437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3207 3.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5105 2.9801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8009 1.5604 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 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 19 1 0 0 0 0
42 15 1 0 0 0 0
16 43 1 0 0 0 0
14 44 1 0 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 1 0 0 0
50 45 1 1 0 0 0
49 51 1 0 0 0 0
48 52 1 0 0 0 0
50 53 1 0 0 0 0
45 54 1 0 0 0 0
46 18 1 0 0 0 0
S SKP 5
ID FL5FAGGA0005
FORMULA C33H40O21
EXACTMASS 772.206208342
AVERAGEMASS 772.6581
SMILES O=C(C(OC(C5O)OC(COC(C6O)OC(C(C6O)O)C)C(O)C5O)=3)c(c1OC3c(c4)cc(O)c(c(O)4)O)c(cc(OC(C(O)2)OC(C)C(C2O)O)c1)O
M END
