Mol:LBPR01070184
From Metabolomics.JP
<pre> 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
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