Mol:FL5FACGS0113
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 62 68 0 0 0 0 0 0 0 0999 V2000 4.6867 0.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9722 1.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9722 2.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6867 2.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4011 2.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4011 1.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2578 0.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5433 1.1886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8288 0.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8288 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5433 -0.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2578 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1144 1.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3999 0.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3999 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1144 -0.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5433 -1.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1894 1.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8567 -0.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1144 -1.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9930 2.3553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6867 3.1519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7578 3.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5826 3.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9930 2.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5783 2.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7534 2.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3431 2.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5181 2.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1078 3.5479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1034 2.1189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0381 1.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6254 1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8272 1.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0337 1.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4463 1.7334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2447 1.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5033 2.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6437 1.4521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2996 1.0877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2548 0.5217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7031 -2.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4705 -2.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9661 -1.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7288 -1.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9614 -1.2404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4657 -1.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8844 -2.0184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4511 -2.7968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9631 -2.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -1.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2043 -2.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -1.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2635 -2.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4767 -2.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0736 -3.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8122 -2.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0253 -2.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6274 -1.6141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0679 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3134 -2.6728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -3.5479 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 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 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 37 1 0 0 0 0 37 32 1 0 0 0 0 37 38 1 0 0 0 0 32 39 1 0 0 0 0 33 40 1 0 0 0 0 34 41 1 0 0 0 0 31 38 1 0 0 0 0 35 18 1 0 0 0 0 42 43 1 1 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 42 1 0 0 0 0 44 48 1 0 0 0 0 42 49 1 0 0 0 0 43 50 1 0 0 0 0 47 51 1 0 0 0 0 51 52 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 53 1 0 0 0 0 54 59 1 0 0 0 0 53 60 1 0 0 0 0 55 61 1 0 0 0 0 56 62 1 0 0 0 0 52 57 1 0 0 0 0 45 19 1 0 0 0 0 S SKP 5 ID FL5FACGS0113 FORMULA C40H44O22 EXACTMASS 876.232423092 AVERAGEMASS 876.7641600000001 SMILES c(c7)ccc(c7)C(=O)OCC(C6O)OC(C(C6O)O)Oc(c1)cc(c(C(=O)3)c1OC(=C3OC(C(O)4)OC(COC(C(O)5)OC(C(O)C(O)5)C)C(O)C4O)c(c2)cc(c(c2)O)O)O M END