Mol:FL2FDAGS0002
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 |
| − | -2.8730 1.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8730 1.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1603 1.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1603 1.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8698 0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8698 0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1530 0.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1530 0.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4404 0.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4404 0.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4440 1.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4440 1.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7241 0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7241 0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0114 0.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0114 0.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0151 1.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0151 1.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7314 1.9454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7314 1.9454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6387 1.9169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6387 1.9169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3547 1.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3547 1.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0676 1.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0676 1.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0644 2.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0644 2.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3484 3.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3484 3.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6355 2.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6355 2.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7241 -0.4387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7241 -0.4387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4984 1.8846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4984 1.8846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1530 -0.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1530 -0.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1561 1.5049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1561 1.5049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7469 3.1415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7469 3.1415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7692 -0.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7692 -0.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9414 0.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9414 0.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7312 0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7312 0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7092 1.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7092 1.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1107 1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1107 1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3208 1.6518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3208 1.6518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3427 0.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3427 0.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8352 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8352 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5283 0.0302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5283 0.0302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9414 -0.4175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9414 -0.4175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4518 -0.1393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4518 -0.1393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3615 1.4599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3615 1.4599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9306 -1.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9306 -1.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3184 -1.6165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3184 -1.6165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1561 -0.7797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1561 -0.7797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4195 -0.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4195 -0.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7734 0.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7734 0.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4178 -1.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4178 -1.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7679 -0.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7679 -0.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9131 -0.3712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9131 -0.3712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7940 -0.9739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7940 -0.9739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3265 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3265 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7349 -2.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7349 -2.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5026 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5026 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0907 -2.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0907 -2.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7332 -2.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7332 -2.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1457 -1.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1457 -1.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9708 -1.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9708 -1.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3833 -2.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3833 -2.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9708 -3.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9708 -3.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1457 -3.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1457 -3.1572 0.0000 C 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 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 6 1 0 0 0 0 | + | 10 6 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 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 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 40 34 1 1 0 0 0 | + | 40 34 1 1 0 0 0 |
| − | 39 34 1 1 0 0 0 | + | 39 34 1 1 0 0 0 |
| − | 38 40 1 1 0 0 0 | + | 38 40 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 40 36 1 0 0 0 0 | + | 40 36 1 0 0 0 0 |
| − | 41 38 1 0 0 0 0 | + | 41 38 1 0 0 0 0 |
| − | 37 42 1 0 0 0 0 | + | 37 42 1 0 0 0 0 |
| − | 39 41 1 0 0 0 0 | + | 39 41 1 0 0 0 0 |
| − | 34 37 1 0 0 0 0 | + | 34 37 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
| − | 43 45 1 0 0 0 0 | + | 43 45 1 0 0 0 0 |
| − | 45 46 2 0 0 0 0 | + | 45 46 2 0 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 48 2 0 0 0 0 | + | 47 48 2 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 50 2 0 0 0 0 | + | 49 50 2 0 0 0 0 |
| − | 50 51 1 0 0 0 0 | + | 50 51 1 0 0 0 0 |
| − | 51 52 2 0 0 0 0 | + | 51 52 2 0 0 0 0 |
| − | 52 47 1 0 0 0 0 | + | 52 47 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FDAGS0002 | + | ID FL2FDAGS0002 |
| − | FORMULA C37H40O15 | + | FORMULA C37H40O15 |
| − | EXACTMASS 724.23672061 | + | EXACTMASS 724.23672061 |
| − | AVERAGEMASS 724.7044999999999 | + | AVERAGEMASS 724.7044999999999 |
| − | SMILES c(c21)c(cc(OC)c(C(=O)CC(c(c3)ccc(OC(O4)C(OC(C5O)OCC(COC(=O)C=Cc(c6)cccc6)(O)5)C(C(O)C4CO)O)c3)O2)1)OC | + | SMILES c(c21)c(cc(OC)c(C(=O)CC(c(c3)ccc(OC(O4)C(OC(C5O)OCC(COC(=O)C=Cc(c6)cccc6)(O)5)C(C(O)C4CO)O)c3)O2)1)OC |
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
-2.8730 1.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1603 1.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8698 0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1530 0.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4404 0.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4440 1.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7241 0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0114 0.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0151 1.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7314 1.9454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6387 1.9169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3547 1.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0676 1.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0644 2.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3484 3.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6355 2.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7241 -0.4387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4984 1.8846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1530 -0.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1561 1.5049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7469 3.1415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7692 -0.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9414 0.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7312 0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7092 1.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1107 1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3208 1.6518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3427 0.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8352 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5283 0.0302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9414 -0.4175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4518 -0.1393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3615 1.4599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9306 -1.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3184 -1.6165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1561 -0.7797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4195 -0.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7734 0.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4178 -1.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7679 -0.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9131 -0.3712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7940 -0.9739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3265 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7349 -2.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5026 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0907 -2.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7332 -2.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1457 -1.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9708 -1.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3833 -2.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9708 -3.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1457 -3.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 2 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 6 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
7 17 2 0 0 0 0
1 18 1 0 0 0 0
4 19 1 0 0 0 0
18 20 1 0 0 0 0
14 21 1 0 0 0 0
19 22 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 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 21 1 0 0 0 0
40 34 1 1 0 0 0
39 34 1 1 0 0 0
38 40 1 1 0 0 0
34 35 1 0 0 0 0
40 36 1 0 0 0 0
41 38 1 0 0 0 0
37 42 1 0 0 0 0
39 41 1 0 0 0 0
34 37 1 0 0 0 0
33 38 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
45 46 2 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
50 51 1 0 0 0 0
51 52 2 0 0 0 0
52 47 1 0 0 0 0
42 43 1 0 0 0 0
S SKP 5
ID FL2FDAGS0002
FORMULA C37H40O15
EXACTMASS 724.23672061
AVERAGEMASS 724.7044999999999
SMILES c(c21)c(cc(OC)c(C(=O)CC(c(c3)ccc(OC(O4)C(OC(C5O)OCC(COC(=O)C=Cc(c6)cccc6)(O)5)C(C(O)C4CO)O)c3)O2)1)OC
M END
