Mol:FL5FAAGA0037
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 69 75 0 0 0 0 0 0 0 0999 V2000 -3.7607 3.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7607 2.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0461 2.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3316 2.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3316 3.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0461 3.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6171 2.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9026 2.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9026 3.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6171 3.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6171 1.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 3.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7253 3.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4535 3.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4535 4.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7253 5.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 4.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0461 1.2328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2329 5.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4230 3.8779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0942 2.0034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9905 2.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5064 1.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2495 1.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9664 1.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4455 2.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7954 2.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7282 1.5342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6765 1.4593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0233 0.9350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3772 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6665 0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8921 0.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6665 -0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3772 -1.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1518 -0.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1744 1.0655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6126 -0.7945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2432 -1.6747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8324 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4149 -2.2560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2699 -2.9408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1778 -3.7164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0638 -2.9408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4572 -3.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3889 -3.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7992 -2.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6194 -2.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0295 -3.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6194 -4.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7992 -4.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8490 -3.6224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9406 -1.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4565 -2.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1995 -1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9165 -1.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3955 -1.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7455 -1.6983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7787 -2.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7503 -2.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2165 -1.6695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9313 -1.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8490 -1.7719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8682 -1.8334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9505 -2.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0403 2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9580 1.7952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4581 -4.6275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5404 -5.1573 0.0000 C 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 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 4 3 1 0 0 0 0 1 20 1 0 0 0 0 21 8 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 23 28 1 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 21 22 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 31 37 1 0 0 0 0 36 38 1 0 0 0 0 35 39 1 0 0 0 0 34 40 1 0 0 0 0 32 28 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 46 1 0 0 0 0 49 52 1 0 0 0 0 53 54 1 1 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 53 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 39 53 1 0 0 0 0 62 63 1 0 0 0 0 57 62 1 0 0 0 0 64 65 1 0 0 0 0 48 64 1 0 0 0 0 66 67 1 0 0 0 0 26 66 1 0 0 0 0 68 69 1 0 0 0 0 50 68 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 62 63 M SBL 1 1 69 M SMT 1 CH2OH M SBV 1 69 -0.5357 -0.1131 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 64 65 M SBL 2 1 71 M SMT 2 ^OCH3 M SBV 2 71 0.2488 -1.0786 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 66 67 M SBL 3 1 73 M SMT 3 CH2OH M SBV 3 73 -0.5949 0.0285 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 68 69 M SBL 4 1 75 M SMT 4 ^OCH3 M SBV 4 75 0.8387 0.2948 S SKP 5 ID FL5FAAGA0037 FORMULA C44H50O25 EXACTMASS 978.26411715 AVERAGEMASS 978.8528000000001 SMILES C(C(O1)C(O)C(C(OC(O6)C(O)C(O)C(C(COC(=O)C=Cc(c7)cc(c(O)c7OC)OC)6)OC(O5)C(C(O)C(O)C5CO)O)C1OC(=C2c(c4)ccc(c4)O)C(c(c3O)c(cc(c3)O)O2)=O)O)O M END