Mol:FL7AAAGL0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 51 56 0 0 0 0 0 0 0 0999 V2000 -2.1694 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1694 1.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4684 0.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7674 1.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7674 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4684 2.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0664 0.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6347 1.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6347 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0664 2.2173 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.3354 2.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0499 1.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7644 2.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7644 3.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0499 3.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3354 3.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4787 3.4545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8702 2.2171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4684 -0.2109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3611 0.4610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1217 0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6019 -0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8534 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1311 -0.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6559 0.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3108 -0.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7162 -0.2373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3077 -0.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3405 -0.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1173 -1.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7237 -1.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5313 -1.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7237 -0.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1173 -0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3097 -0.8705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4177 -2.6832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0786 -1.4873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7046 0.1317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3324 0.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8330 -0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5409 0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3170 0.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8162 0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1083 0.3389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2811 -0.1422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8234 0.2808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0338 -0.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8636 0.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8234 0.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 -2.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9329 -3.4546 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 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 24 19 1 0 0 0 0 31 30 1 1 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 35 30 1 1 0 0 0 31 36 1 0 0 0 0 32 37 1 0 0 0 0 34 20 1 0 0 0 0 33 38 1 0 0 0 0 39 40 1 1 0 0 0 40 41 1 1 0 0 0 42 41 1 1 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 39 1 0 0 0 0 40 45 1 0 0 0 0 42 46 1 0 0 0 0 41 47 1 0 0 0 0 39 38 1 0 0 0 0 48 49 1 0 0 0 0 26 48 1 0 0 0 0 50 51 1 0 0 0 0 30 50 1 0 0 0 0 M CHG 1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 48 49 M SBL 1 1 54 M SMT 1 ^ CH2OH M SBV 1 54 0.5529 -0.5717 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 50 51 M SBL 2 1 56 M SMT 2 ^ CH2OH M SBV 2 56 0.0403 0.6548 S SKP 5 ID FL7AAAGL0011 FORMULA C32H39O19 EXACTMASS 727.208554066 AVERAGEMASS 727.64066 SMILES c(c6)(ccc(c6)O)c(c3OC(O5)C(C(O)C(C(CO)5)O)OC(C4O)OCC(O)C(O)4)[o+1]c(c1c3)cc(O)cc(OC(O2)C(C(C(O)C(CO)2)O)O)1 M END