Mol:FL5FAAGS0125
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 55 60 0 0 0 0 0 0 0 0999 V2000 | + | 55 60 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.0195 4.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0195 4.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0195 3.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0195 3.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7339 2.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7339 2.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4484 3.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4484 3.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4484 4.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4484 4.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7339 4.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7339 4.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3049 2.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3049 2.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5904 3.4049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5904 3.4049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1240 2.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1240 2.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1240 2.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1240 2.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5904 1.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5904 1.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3049 2.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3049 2.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8386 3.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8386 3.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5531 2.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5531 2.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5531 2.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5531 2.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8386 1.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8386 1.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5904 1.0366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5904 1.0366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2676 3.4049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2676 3.4049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9113 1.8173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9113 1.8173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0492 4.5768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0492 4.5768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8386 1.0553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8386 1.0553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5018 -0.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5018 -0.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3246 -0.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3246 -0.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4844 0.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4844 0.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0344 0.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0344 0.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2115 0.7492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2115 0.7492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0516 -0.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0516 -0.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4337 -0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4337 -0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0622 -0.6144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0622 -0.6144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4856 -1.3364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4856 -1.3364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0830 -1.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0830 -1.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3580 0.3986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3580 0.3986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5697 -1.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5697 -1.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9822 -2.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9822 -2.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1890 -1.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1890 -1.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3909 -2.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3909 -2.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0218 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0218 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7716 -1.5717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7716 -1.5717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3749 -2.6335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3749 -2.6335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6637 -2.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6637 -2.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4321 -1.8179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4321 -1.8179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2009 -1.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2009 -1.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0015 -2.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0015 -2.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9958 -2.9138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9958 -2.9138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6764 -1.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6764 -1.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1456 -3.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1456 -3.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5581 -4.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5581 -4.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7648 -3.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7648 -3.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9667 -4.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9667 -4.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5541 -3.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5541 -3.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3474 -3.5188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3474 -3.5188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9302 -4.6424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9302 -4.6424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3014 -4.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3014 -4.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0492 -3.9093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0492 -3.9093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8799 -3.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8799 -3.4956 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 |
| − | 2 3 1 0 0 0 0 | + | 2 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 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 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 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 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 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 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 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 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 36 39 1 0 0 0 0 | + | 36 39 1 0 0 0 0 |
| − | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
| − | 34 41 1 0 0 0 0 | + | 34 41 1 0 0 0 0 |
| − | 33 42 1 0 0 0 0 | + | 33 42 1 0 0 0 0 |
| − | 37 29 1 0 0 0 0 | + | 37 29 1 0 0 0 0 |
| − | 41 43 1 0 0 0 0 | + | 41 43 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 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 48 1 1 0 0 0 | + | 47 48 1 1 0 0 0 |
| − | 49 48 1 1 0 0 0 | + | 49 48 1 1 0 0 0 |
| − | 50 49 1 1 0 0 0 | + | 50 49 1 1 0 0 0 |
| − | 50 51 1 0 0 0 0 | + | 50 51 1 0 0 0 0 |
| − | 51 46 1 0 0 0 0 | + | 51 46 1 0 0 0 0 |
| − | 49 52 1 0 0 0 0 | + | 49 52 1 0 0 0 0 |
| − | 48 53 1 0 0 0 0 | + | 48 53 1 0 0 0 0 |
| − | 47 54 1 0 0 0 0 | + | 47 54 1 0 0 0 0 |
| − | 46 55 1 0 0 0 0 | + | 46 55 1 0 0 0 0 |
| − | 50 40 1 0 0 0 0 | + | 50 40 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGS0125 | + | ID FL5FAAGS0125 |
| − | FORMULA C35H42O20 | + | FORMULA C35H42O20 |
| − | EXACTMASS 782.226943784 | + | EXACTMASS 782.226943784 |
| − | AVERAGEMASS 782.69598 | + | AVERAGEMASS 782.69598 |
| − | SMILES c(O)(c1)ccc(C(=C(OC(O4)C(O)C(C(O)C(COC(O6)C(C(C(OC(C)=O)C(C)6)OC(O5)C(O)C(O)C(O)C5C)O)4)O)2)Oc(c3)c(c(cc3O)O)C2=O)c1 | + | SMILES c(O)(c1)ccc(C(=C(OC(O4)C(O)C(C(O)C(COC(O6)C(C(C(OC(C)=O)C(C)6)OC(O5)C(O)C(O)C(O)C5C)O)4)O)2)Oc(c3)c(c(cc3O)O)C2=O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
55 60 0 0 0 0 0 0 0 0999 V2000
2.0195 4.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0195 3.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7339 2.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4484 3.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4484 4.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7339 4.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3049 2.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5904 3.4049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1240 2.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1240 2.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5904 1.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3049 2.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8386 3.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5531 2.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5531 2.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8386 1.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5904 1.0366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2676 3.4049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9113 1.8173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0492 4.5768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8386 1.0553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5018 -0.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3246 -0.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4844 0.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0344 0.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2115 0.7492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0516 -0.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4337 -0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0622 -0.6144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4856 -1.3364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0830 -1.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3580 0.3986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5697 -1.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9822 -2.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1890 -1.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3909 -2.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0218 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7716 -1.5717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3749 -2.6335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6637 -2.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4321 -1.8179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2009 -1.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0015 -2.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9958 -2.9138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6764 -1.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1456 -3.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5581 -4.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7648 -3.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9667 -4.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5541 -3.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3474 -3.5188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9302 -4.6424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3014 -4.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0492 -3.9093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8799 -3.4956 0.0000 C 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 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 21 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 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 19 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
36 39 1 0 0 0 0
35 40 1 0 0 0 0
34 41 1 0 0 0 0
33 42 1 0 0 0 0
37 29 1 0 0 0 0
41 43 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 1 0 0 0
49 48 1 1 0 0 0
50 49 1 1 0 0 0
50 51 1 0 0 0 0
51 46 1 0 0 0 0
49 52 1 0 0 0 0
48 53 1 0 0 0 0
47 54 1 0 0 0 0
46 55 1 0 0 0 0
50 40 1 0 0 0 0
S SKP 5
ID FL5FAAGS0125
FORMULA C35H42O20
EXACTMASS 782.226943784
AVERAGEMASS 782.69598
SMILES c(O)(c1)ccc(C(=C(OC(O4)C(O)C(C(O)C(COC(O6)C(C(C(OC(C)=O)C(C)6)OC(O5)C(O)C(O)C(O)C5C)O)4)O)2)Oc(c3)c(c(cc3O)O)C2=O)c1
M END
