Mol:FL5FADGS0028
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 |
| − | 3.0560 1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0560 1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3415 2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3415 2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3415 3.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3415 3.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0560 3.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0560 3.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7704 3.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7704 3.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7704 2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7704 2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6270 1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6270 1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9126 2.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9126 2.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1981 1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1981 1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1981 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1981 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9126 0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9126 0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6270 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6270 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5164 2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5164 2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2309 1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2309 1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2309 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2309 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5164 0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5164 0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9126 -0.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9126 -0.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9452 2.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9452 2.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3415 0.7059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3415 0.7059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5164 -0.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5164 -0.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4849 3.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4849 3.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0560 4.4184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0560 4.4184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7877 4.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7877 4.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9599 -0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9599 -0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5361 -1.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5361 -1.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3331 -0.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3331 -0.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1280 -1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1280 -1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5519 -0.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5519 -0.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7548 -0.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7548 -0.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2778 -1.7571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2778 -1.7571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8692 -1.4164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8692 -1.4164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1061 -0.9757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1061 -0.9757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2229 -0.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2229 -0.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1562 -4.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1562 -4.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9533 -3.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9533 -3.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9579 -3.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9579 -3.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3824 -2.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3824 -2.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5852 -2.5730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5852 -2.5730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5805 -3.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5805 -3.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9133 -3.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9133 -3.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1207 -4.8409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1207 -4.8409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6441 -4.5290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6441 -4.5290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6728 -2.7279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6728 -2.7279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4427 -3.1157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4427 -3.1157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0486 -2.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0486 -2.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5238 -1.8934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5238 -1.8934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7752 -2.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7752 -2.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1871 -3.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1871 -3.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0110 -3.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0110 -3.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4235 -2.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4235 -2.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2485 -2.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2485 -2.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6610 -3.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6610 -3.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2485 -3.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2485 -3.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4235 -3.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4235 -3.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4849 -3.2160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4849 -3.2160 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 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 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 28 27 1 1 0 0 0 | + | 28 27 1 1 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 24 33 1 0 0 0 0 | + | 24 33 1 0 0 0 0 |
| − | 28 19 1 0 0 0 0 | + | 28 19 1 0 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 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 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 34 41 1 0 0 0 0 | + | 34 41 1 0 0 0 0 |
| − | 35 42 1 0 0 0 0 | + | 35 42 1 0 0 0 0 |
| − | 36 43 1 0 0 0 0 | + | 36 43 1 0 0 0 0 |
| − | 37 30 1 0 0 0 0 | + | 37 30 1 0 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 45 46 2 0 0 0 0 | + | 45 46 2 0 0 0 0 |
| − | 45 47 1 0 0 0 0 | + | 45 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 53 1 0 0 0 0 | + | 52 53 1 0 0 0 0 |
| − | 53 54 2 0 0 0 0 | + | 53 54 2 0 0 0 0 |
| − | 54 49 1 0 0 0 0 | + | 54 49 1 0 0 0 0 |
| − | 52 55 1 0 0 0 0 | + | 52 55 1 0 0 0 0 |
| − | 44 40 1 0 0 0 0 | + | 44 40 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FADGS0028 | + | ID FL5FADGS0028 |
| − | FORMULA C37H38O18 | + | FORMULA C37H38O18 |
| − | EXACTMASS 770.205814412 | + | EXACTMASS 770.205814412 |
| − | AVERAGEMASS 770.6868199999999 | + | AVERAGEMASS 770.6868199999999 |
| − | SMILES C(=Cc(c6)ccc(c6)O)C(OCC(O1)C(O)C(O)C(O)C1OC(C(OC(=C(c(c5)ccc(O)c(OC)5)4)C(c(c3O)c(O4)cc(c3)O)=O)2)C(C(O)C(C)O2)O)=O | + | SMILES C(=Cc(c6)ccc(c6)O)C(OCC(O1)C(O)C(O)C(O)C1OC(C(OC(=C(c(c5)ccc(O)c(OC)5)4)C(c(c3O)c(O4)cc(c3)O)=O)2)C(C(O)C(C)O2)O)=O |
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
3.0560 1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3415 2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3415 3.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0560 3.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7704 3.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7704 2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6270 1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9126 2.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1981 1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1981 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9126 0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6270 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5164 2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2309 1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2309 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5164 0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9126 -0.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9452 2.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3415 0.7059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5164 -0.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4849 3.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0560 4.4184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7877 4.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9599 -0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5361 -1.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3331 -0.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1280 -1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5519 -0.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7548 -0.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2778 -1.7571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8692 -1.4164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1061 -0.9757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2229 -0.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1562 -4.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9533 -3.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9579 -3.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3824 -2.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5852 -2.5730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5805 -3.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9133 -3.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1207 -4.8409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6441 -4.5290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6728 -2.7279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4427 -3.1157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0486 -2.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5238 -1.8934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7752 -2.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1871 -3.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0110 -3.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4235 -2.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2485 -2.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6610 -3.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2485 -3.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4235 -3.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4849 -3.2160 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 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
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
22 23 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
27 30 1 0 0 0 0
26 31 1 0 0 0 0
25 32 1 0 0 0 0
24 33 1 0 0 0 0
28 19 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
39 40 1 0 0 0 0
34 41 1 0 0 0 0
35 42 1 0 0 0 0
36 43 1 0 0 0 0
37 30 1 0 0 0 0
44 45 1 0 0 0 0
45 46 2 0 0 0 0
45 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 53 1 0 0 0 0
53 54 2 0 0 0 0
54 49 1 0 0 0 0
52 55 1 0 0 0 0
44 40 1 0 0 0 0
S SKP 5
ID FL5FADGS0028
FORMULA C37H38O18
EXACTMASS 770.205814412
AVERAGEMASS 770.6868199999999
SMILES C(=Cc(c6)ccc(c6)O)C(OCC(O1)C(O)C(O)C(O)C1OC(C(OC(=C(c(c5)ccc(O)c(OC)5)4)C(c(c3O)c(O4)cc(c3)O)=O)2)C(C(O)C(C)O2)O)=O
M END
