Mol:FL5FACGL0059
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 -4.6005 0.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6005 0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0442 -0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4879 0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4879 0.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0442 1.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9316 -0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3753 0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3753 0.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9316 1.2767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9316 -0.5089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8192 1.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2522 0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6852 1.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6852 1.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2522 2.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8192 1.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7272 -0.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6817 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0694 -0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3239 -0.2041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4261 -0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8138 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0683 0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4088 0.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3371 0.5069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4281 0.0896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1184 2.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0442 -0.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2114 1.1540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0550 -0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4006 -1.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6902 -1.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3576 -2.3224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2522 2.9131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2268 -1.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5787 -2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2825 -2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -2.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2476 -2.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5693 -2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2476 -1.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -1.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2114 -2.3559 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 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 19 20 1 0 0 0 0 20 21 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 24 26 1 0 0 0 0 23 27 1 0 0 0 0 20 18 1 0 0 0 0 18 8 1 0 0 0 0 22 21 1 1 0 0 0 15 28 1 0 0 0 0 3 29 1 0 0 0 0 1 30 1 0 0 0 0 22 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 16 35 1 0 0 0 0 33 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 38 1 0 0 0 0 41 44 1 0 0 0 0 S SKP 8 ID FL5FACGL0059 KNApSAcK_ID C00005961 NAME Helichrysoside CAS_RN 56343-26-1 FORMULA C30H26O14 EXACTMASS 610.13225554 AVERAGEMASS 610.51904 SMILES C(c(c5)ccc(O)c5)=CC(OCC(C4O)OC(C(C4O)O)OC(C3=O)=C(Oc(c32)cc(cc2O)O)c(c1)ccc(c(O)1)O)=O M END