Mol:FL5FCAGL0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 55 60 0 0 0 0 0 0 0 0999 V2000 -5.1930 1.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1930 1.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4813 0.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7697 1.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7697 1.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4813 2.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0580 0.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3464 1.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3464 1.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0580 2.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0580 -0.0111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6152 2.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8899 2.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1647 2.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1647 3.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8899 3.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6152 3.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4813 0.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6117 3.7056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5544 0.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0424 -0.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7502 -0.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5256 -0.9154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7502 -1.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0424 -2.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2669 -1.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1522 0.3396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7026 -1.6547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4364 -2.8673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7655 1.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0288 0.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7453 0.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4878 1.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3534 1.5771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0288 1.1234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7453 0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7453 1.1272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -0.2586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8865 -0.8845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4755 -1.5965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6425 -0.8845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0323 -1.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8390 -1.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2519 -2.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0777 -2.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4905 -1.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0777 -0.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2519 -0.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1296 -1.5596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8429 -2.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1671 -3.7056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4692 -2.9528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3832 -3.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7436 2.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3832 3.4211 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 20 8 1 0 0 0 0 21 22 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 21 1 0 0 0 0 21 27 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 22 20 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 30 1 0 0 0 0 31 35 1 0 0 0 0 32 36 1 0 0 0 0 32 37 1 0 0 0 0 30 27 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 43 1 0 0 0 0 46 49 1 0 0 0 0 50 51 1 0 0 0 0 24 50 1 0 0 0 0 52 53 1 0 0 0 0 45 52 1 0 0 0 0 54 55 1 0 0 0 0 1 54 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 50 51 M SBL 1 1 56 M SMT 1 ^ CH2OH M SBV 1 56 0.0927 0.7620 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 52 53 M SBL 2 1 58 M SMT 2 OCH3 M SBV 2 58 -0.3915 0.6781 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 54 55 M SBL 3 1 60 M SMT 3 ^ OCH3 M SBV 3 60 0.5506 -0.3179 S SKP 5 ID FL5FCAGL0009 FORMULA C37H38O18 EXACTMASS 770.205814412 AVERAGEMASS 770.6868199999999 SMILES Oc(c(OC)1)ccc(C=CC(OCC(C2)(O)C(O)C(OC(C(O)3)C(OC(C5=O)=C(c(c6)ccc(c6)O)Oc(c45)cc(cc4O)OC)OC(CO)C3O)O2)=O)c1 M END