Mol:FL7AAGGA0016
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 53 58 0 0 0 0 0 0 0 0999 V2000 -1.5573 1.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5573 0.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8428 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1283 0.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1283 1.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8428 1.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3005 0.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3005 1.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 1.7805 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 2.0770 1.8163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7915 1.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5060 1.8163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5060 2.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7915 3.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 2.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1461 3.0109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 0.1079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1373 1.7029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8414 -0.4479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7915 3.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1709 1.4324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0851 -1.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7204 -1.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1059 -1.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8094 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0038 -0.5626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6182 -1.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1436 -1.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2281 -1.4496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0626 -2.3690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8754 -1.2177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0845 -3.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7006 -3.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1533 -2.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8945 -2.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1095 -2.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6566 -2.7719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0179 -2.7548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1863 -3.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3684 -3.7038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8251 -1.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6217 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2091 -0.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4108 -0.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6173 -0.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0298 -0.0956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8282 -0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9571 -1.1278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8479 -0.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1709 -0.2830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1064 0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8443 0.1951 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 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 14 17 1 0 0 0 0 8 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 15 21 1 0 0 0 0 13 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 26 18 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 35 39 1 0 0 0 0 34 40 1 0 0 0 0 33 41 1 0 0 0 0 36 32 1 0 0 0 0 42 29 1 0 0 0 0 43 44 1 1 0 0 0 44 45 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 43 1 0 0 0 0 45 49 1 0 0 0 0 44 50 1 0 0 0 0 43 51 1 0 0 0 0 48 52 1 0 0 0 0 52 53 1 0 0 0 0 46 20 1 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7AAGGA0016 FORMULA C32H39O21 EXACTMASS 759.19838331 AVERAGEMASS 759.63946 SMILES c(c23)(cc(cc2[o+1]c(c(c6)cc(c(O)c(O)6)O)c(OC(C4OC(C5O)OCC(O)C5O)OC(CO)C(O)C4O)c3)O)OC(C(O)1)OC(CO)C(O)C1O M END
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