Mol:FL5FAAGS0066
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 |
| − | -4.3523 0.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3523 0.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3523 0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3523 0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6513 -0.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6513 -0.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9502 0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9502 0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9502 0.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9502 0.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6513 1.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6513 1.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2492 -0.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2492 -0.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5482 0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5482 0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5482 0.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5482 0.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2492 1.3746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2492 1.3746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2492 -0.8755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2492 -0.8755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6656 1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6656 1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0489 1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0489 1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7634 1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7634 1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7634 2.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7634 2.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0489 2.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0489 2.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6656 2.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6656 2.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6513 -1.0535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6513 -1.0535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5281 2.7969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5281 2.7969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0008 1.3959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0008 1.3959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7551 -0.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7551 -0.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9198 -2.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9198 -2.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2452 -2.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2452 -2.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4593 -2.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4593 -2.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2452 -1.2919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2452 -1.2919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9198 -0.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9198 -0.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7059 -1.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7059 -1.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1215 -1.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1215 -1.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8258 -3.1098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8258 -3.1098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2583 -3.4564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2583 -3.4564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0226 -2.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0226 -2.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8583 -1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8583 -1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8377 -0.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8377 -0.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5353 -1.5319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5353 -1.5319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2402 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2402 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9435 -1.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9435 -1.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9434 -2.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9434 -2.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6643 -2.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6643 -2.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3852 -2.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3852 -2.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3853 -1.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3853 -1.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6644 -1.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6644 -1.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1056 -2.7213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1056 -2.7213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2935 2.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2935 2.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8239 2.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8239 2.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7271 2.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7271 2.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6358 2.9360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6358 2.9360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1056 2.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1056 2.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2023 2.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2023 2.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2297 3.4564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2297 3.4564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2957 3.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2957 3.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4698 2.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4698 2.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1924 2.8834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1924 2.8834 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 |
| − | 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 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 33 32 2 0 0 0 0 | + | 33 32 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 41 2 0 0 0 0 | + | 40 41 2 0 0 0 0 |
| − | 41 36 1 0 0 0 0 | + | 41 36 1 0 0 0 0 |
| − | 39 42 1 0 0 0 0 | + | 39 42 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | 44 43 1 1 0 0 0 | + | 44 43 1 1 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 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 |
| − | 43 48 1 1 0 0 0 | + | 43 48 1 1 0 0 0 |
| − | 20 47 1 0 0 0 0 | + | 20 47 1 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 45 50 1 0 0 0 0 | + | 45 50 1 0 0 0 0 |
| − | 43 51 1 0 0 0 0 | + | 43 51 1 0 0 0 0 |
| − | 44 52 1 0 0 0 0 | + | 44 52 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGS0066 | + | ID FL5FAAGS0066 |
| − | FORMULA C36H36O16 | + | FORMULA C36H36O16 |
| − | EXACTMASS 724.200335104 | + | EXACTMASS 724.200335104 |
| − | AVERAGEMASS 724.66144 | + | AVERAGEMASS 724.66144 |
| − | SMILES c(c1O)cc(C=CC(=O)OC(C(OC(=C(c(c6)ccc(O)c6)3)C(=O)c(c(O)4)c(cc(OC(C5O)OC(C(C5O)O)C)c4)O3)2)C(C(C(C)O2)O)O)cc1 | + | SMILES c(c1O)cc(C=CC(=O)OC(C(OC(=C(c(c6)ccc(O)c6)3)C(=O)c(c(O)4)c(cc(OC(C5O)OC(C(C5O)O)C)c4)O3)2)C(C(C(C)O2)O)O)cc1 |
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
-4.3523 0.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3523 0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6513 -0.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9502 0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9502 0.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6513 1.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2492 -0.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5482 0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5482 0.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2492 1.3746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2492 -0.8755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6656 1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0489 1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7634 1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7634 2.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0489 2.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6656 2.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6513 -1.0535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5281 2.7969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0008 1.3959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7551 -0.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9198 -2.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2452 -2.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4593 -2.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2452 -1.2919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9198 -0.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7059 -1.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1215 -1.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8258 -3.1098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2583 -3.4564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0226 -2.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8583 -1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8377 -0.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5353 -1.5319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2402 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9435 -1.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9434 -2.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6643 -2.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3852 -2.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3853 -1.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6644 -1.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1056 -2.7213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2935 2.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8239 2.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7271 2.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6358 2.9360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1056 2.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2023 2.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2297 3.4564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2957 3.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4698 2.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1924 2.8834 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
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
19 15 1 0 0 0 0
4 3 1 0 0 0 0
1 20 1 0 0 0 0
21 8 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
26 21 1 0 0 0 0
33 32 2 0 0 0 0
32 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
41 36 1 0 0 0 0
39 42 1 0 0 0 0
28 32 1 0 0 0 0
44 43 1 1 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 1 0 0 0
43 48 1 1 0 0 0
20 47 1 0 0 0 0
48 49 1 0 0 0 0
45 50 1 0 0 0 0
43 51 1 0 0 0 0
44 52 1 0 0 0 0
S SKP 5
ID FL5FAAGS0066
FORMULA C36H36O16
EXACTMASS 724.200335104
AVERAGEMASS 724.66144
SMILES c(c1O)cc(C=CC(=O)OC(C(OC(=C(c(c6)ccc(O)c6)3)C(=O)c(c(O)4)c(cc(OC(C5O)OC(C(C5O)O)C)c4)O3)2)C(C(C(C)O2)O)O)cc1
M END
