Mol:LBPR01070184
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 54 55 0 0 0 0 0 0 0 0999 V2000 | + | 54 55 0 0 0 0 0 0 0 0999 V2000 |
− | 3.8660 -8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8660 -8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8660 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8660 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.7321 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.7321 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.5981 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5981 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.5981 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5981 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.4641 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4641 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.9282 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.9282 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.9282 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.9282 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.7942 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.7942 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.7942 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.7942 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.6603 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.6603 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.6603 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.6603 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8660 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8660 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.9282 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.9282 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.6603 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.6603 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0000 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0000 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8660 -10.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.8660 -10.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 4.7321 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.7321 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 12.5263 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.5263 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 12.5263 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.5263 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.5981 -8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5981 -8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5000 -8.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5000 -8.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 13.3923 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.3923 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 13.3923 8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.3923 8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 13.3923 9.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 13.3923 9.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 14.2583 9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.2583 9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 13.7583 10.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.7583 10.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 15.1244 10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.1244 10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.6603 9.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 11.6603 9.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 9.9282 9.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 9.9282 9.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 11.6603 10.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 11.6603 10.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 9.0622 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0622 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.9282 10.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 9.9282 10.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 10.7942 10.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 10.7942 10.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 14.7583 8.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.7583 8.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 12.5263 9.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.5263 9.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8660 -11.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8660 -11.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.7942 8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.7942 8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.1962 9.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.1962 9.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 12.5263 10.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.5263 10.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.7942 11.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.7942 11.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.0622 10.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0622 10.5000 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 7 2 0 0 0 0 | + | 6 7 2 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
− | 11 12 1 0 0 0 0 | + | 11 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
− | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 4 21 1 0 0 0 0 | + | 4 21 1 0 0 0 0 |
− | 8 22 1 0 0 0 0 | + | 8 22 1 0 0 0 0 |
− | 13 23 1 0 0 0 0 | + | 13 23 1 0 0 0 0 |
− | 17 24 1 0 0 0 0 | + | 17 24 1 0 0 0 0 |
− | 25 1 1 0 0 0 0 | + | 25 1 1 0 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 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 |
− | 29 1 2 0 0 0 0 | + | 29 1 2 0 0 0 0 |
− | 30 20 2 0 0 0 0 | + | 30 20 2 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
− | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
− | 25 34 1 0 0 0 0 | + | 25 34 1 0 0 0 0 |
− | 30 35 1 0 0 0 0 | + | 30 35 1 0 0 0 0 |
− | 31 36 2 0 0 0 0 | + | 31 36 2 0 0 0 0 |
− | 37 36 1 0 0 0 0 | + | 37 36 1 0 0 0 0 |
− | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
− | 38 47 1 0 0 0 0 | + | 38 47 1 0 0 0 0 |
− | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
− | 38 40 1 0 0 0 0 | + | 38 40 1 0 0 0 0 |
− | 37 48 1 1 0 0 0 | + | 37 48 1 1 0 0 0 |
− | 27 49 1 1 0 0 0 | + | 27 49 1 1 0 0 0 |
− | 48 41 1 0 0 0 0 | + | 48 41 1 0 0 0 0 |
− | 41 50 1 4 0 0 0 | + | 41 50 1 4 0 0 0 |
− | 42 50 1 6 0 0 0 | + | 42 50 1 6 0 0 0 |
− | 41 43 1 0 0 0 0 | + | 41 43 1 0 0 0 0 |
− | 42 44 1 0 0 0 0 | + | 42 44 1 0 0 0 0 |
− | 44 51 1 0 0 0 0 | + | 44 51 1 0 0 0 0 |
− | 43 52 1 1 0 0 0 | + | 43 52 1 1 0 0 0 |
− | 42 45 1 0 0 0 0 | + | 42 45 1 0 0 0 0 |
− | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
− | 46 53 1 6 0 0 0 | + | 46 53 1 6 0 0 0 |
− | 43 46 1 0 0 0 0 | + | 43 46 1 0 0 0 0 |
− | 45 54 1 1 0 0 0 | + | 45 54 1 1 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBPR01070184 | + | ID LBPR01070184 |
− | FORMULA C46H66O8 | + | FORMULA C46H66O8 |
− | EXACTMASS 746.475769088 | + | EXACTMASS 746.475769088 |
− | AVERAGEMASS 747.01144 | + | AVERAGEMASS 747.01144 |
− | SMILES C(C)(=CC=CC(C)=CC=CC=C(C)C=CC=C(C=CC(=C2C)C(C[C@H](O)C2)(C)C)C)C=CC=C(C)C=C[C@@H](OC([C@@H]1O)O[C@H](CO)[C@@H](O)[C@H](O)1)C(O)(C)C | + | SMILES C(C)(=CC=CC(C)=CC=CC=C(C)C=CC=C(C=CC(=C2C)C(C[C@H](O)C2)(C)C)C)C=CC=C(C)C=C[C@@H](OC([C@@H]1O)O[C@H](CO)[C@@H](O)[C@H](O)1)C(O)(C)C |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 54 55 0 0 0 0 0 0 0 0999 V2000 3.8660 -8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -10.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7321 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -8.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 9.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2583 9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7583 10.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1244 10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 9.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9282 9.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6603 10.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0622 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 10.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7942 10.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7583 8.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 9.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -11.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 9.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 10.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 11.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 10.5000 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 7 2 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 11 2 0 0 0 0 11 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 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 4 21 1 0 0 0 0 8 22 1 0 0 0 0 13 23 1 0 0 0 0 17 24 1 0 0 0 0 25 1 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 1 2 0 0 0 0 30 20 2 0 0 0 0 30 31 1 0 0 0 0 29 32 1 0 0 0 0 25 33 1 0 0 0 0 25 34 1 0 0 0 0 30 35 1 0 0 0 0 31 36 2 0 0 0 0 37 36 1 0 0 0 0 37 38 1 0 0 0 0 38 47 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 37 48 1 1 0 0 0 27 49 1 1 0 0 0 48 41 1 0 0 0 0 41 50 1 4 0 0 0 42 50 1 6 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 44 51 1 0 0 0 0 43 52 1 1 0 0 0 42 45 1 0 0 0 0 45 46 1 0 0 0 0 46 53 1 6 0 0 0 43 46 1 0 0 0 0 45 54 1 1 0 0 0 S SKP 5 ID LBPR01070184 FORMULA C46H66O8 EXACTMASS 746.475769088 AVERAGEMASS 747.01144 SMILES C(C)(=CC=CC(C)=CC=CC=C(C)C=CC=C(C=CC(=C2C)C(C[C@H](O)C2)(C)C)C)C=CC=C(C)C=C[C@@H](OC([C@@H]1O)O[C@H](CO)[C@@H](O)[C@H](O)1)C(O)(C)C M END