Mol:FL3FAAGS0031
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 52 57 0 0 0 0 0 0 0 0999 V2000 -0.7678 -1.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7678 -1.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0668 -2.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6341 -1.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6341 -1.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0668 -0.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3351 -2.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0361 -1.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0361 -1.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3351 -0.7432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3351 -2.9931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7368 -0.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4512 -1.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1655 -0.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1655 0.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4512 0.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7368 0.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4685 -0.7434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0668 -3.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8799 0.4940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7274 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0777 -1.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1421 -1.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2393 -1.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8954 -0.4558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8510 -0.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4318 -0.9249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9241 -1.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3571 -1.6723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2130 -2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7237 -3.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7417 -3.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7535 -3.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2427 -2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2249 -2.7665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3035 -3.7550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3042 -3.1740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0217 -2.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7315 -4.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3078 1.7987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0995 1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8483 2.2206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0995 3.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3078 3.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5589 2.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3441 4.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0187 3.7790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4318 1.7387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 3.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0019 2.4187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6171 -0.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7077 0.8143 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 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 34 29 1 0 0 0 0 32 36 1 0 0 0 0 31 37 1 0 0 0 0 30 38 1 0 0 0 0 33 39 1 0 0 0 0 24 18 1 0 0 0 0 41 40 1 1 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 1 0 0 0 45 40 1 1 0 0 0 44 46 1 0 0 0 0 43 47 1 0 0 0 0 42 48 1 0 0 0 0 20 41 1 0 0 0 0 49 50 1 0 0 0 0 45 49 1 0 0 0 0 51 52 1 0 0 0 0 26 51 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 49 50 M SBL 1 1 55 M SMT 1 ^ CH2OH M SBV 1 55 0.5965 -0.5513 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 51 52 M SBL 2 1 57 M SMT 2 ^ CH2OH M SBV 2 57 0.7661 -0.5776 S SKP 5 ID FL3FAAGS0031 FORMULA C33H40O19 EXACTMASS 740.216379098 AVERAGEMASS 740.6593 SMILES C(C(C(O)1)OC(Oc(c2)ccc(C(O6)=CC(c(c63)c(O)cc(OC(O4)C(OC(O5)C(C(C(O)C5C)O)O)C(O)C(C4CO)O)c3)=O)c2)C(O)C1O)O M END