Mol:FL5FACGS0085
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 61 67 0 0 0 0 0 0 0 0999 V2000 2.0956 3.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0956 2.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 2.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5245 2.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5245 3.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 3.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3811 2.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 2.6204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0478 2.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0478 1.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 0.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3811 1.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7623 2.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4766 2.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4766 1.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7623 0.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 0.1455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1911 2.6204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0956 0.9705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7623 0.1455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1163 3.7872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1530 2.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7658 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3531 -0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1466 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9449 -0.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3576 -0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5641 -0.3524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9816 -1.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -1.2344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3893 -0.6059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1152 -0.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5432 -2.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1714 -2.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7583 -2.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5589 -2.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8442 -1.7528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2573 -2.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2321 -2.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0514 -2.3414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9043 -3.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4676 -3.1757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5911 -2.6358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6554 -3.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9407 -3.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3539 -3.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5534 -2.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2679 -2.5523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8549 -3.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5955 -3.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5277 -3.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1530 -3.7725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6589 1.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6651 0.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8709 -0.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3016 -0.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2953 0.1955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0895 0.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8754 -0.7077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 0.5268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3873 1.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 26 29 1 0 0 0 0 25 30 1 0 0 0 0 24 31 1 0 0 0 0 23 32 1 0 0 0 0 27 19 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 38 39 1 0 0 0 0 39 40 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 35 43 1 0 0 0 0 36 29 1 0 0 0 0 44 45 1 1 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 44 1 0 0 0 0 46 50 1 0 0 0 0 45 51 1 0 0 0 0 44 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 55 59 1 0 0 0 0 54 60 1 0 0 0 0 53 61 1 0 0 0 0 47 40 1 0 0 0 0 56 31 1 0 0 0 0 S SKP 5 ID FL5FACGS0085 FORMULA C37H46O24 EXACTMASS 874.2379023999999 AVERAGEMASS 874.7467399999999 SMILES Oc(c31)cc(O)cc1OC(=C(OC(C(OC(C6O)OC(COC(O7)C(O)C(O)C(C7)O)C(O)C6O)4)OC(C(OC(C5O)OCC(C(O)5)O)C(O)4)C)C(=O)3)c(c2)cc(c(c2)O)O M END