Mol:FL7AACGL0085
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 58 63 0 0 0 0 0 0 0 0999 V2000 -2.3803 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3803 0.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6667 -0.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9544 0.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9544 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6667 1.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2409 -0.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4713 0.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4713 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2409 1.5310 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.1861 1.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9011 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6147 1.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6147 2.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9011 2.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1861 2.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0951 1.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1861 -0.1174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3767 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3226 -0.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 -2.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2766 -2.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3201 -3.1987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5574 -1.2921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3729 -2.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7353 -1.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6319 -2.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8802 -1.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 -3.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9011 3.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3295 2.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2443 -0.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7073 -1.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 -0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3171 -1.1705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1221 -1.6547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1700 -2.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4324 -1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -1.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8628 -1.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6667 -0.9452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4324 -0.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0193 -0.4533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5562 -1.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8604 -0.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9465 -0.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0167 -1.1242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9903 -1.5696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5057 -0.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4702 -1.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3996 -1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1950 0.6415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5592 1.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3842 1.3839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1469 2.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5592 2.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1469 3.5288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3842 2.8138 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 1 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 5 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 16 1 0 0 0 0 1 17 1 0 0 0 0 8 18 1 0 0 0 0 19 20 1 0 0 0 0 20 26 1 1 0 0 0 21 27 1 1 0 0 0 21 22 1 0 0 0 0 19 22 1 0 0 0 0 23 27 1 0 0 0 0 24 26 1 0 0 0 0 22 25 1 0 0 0 0 26 27 1 1 0 0 0 25 28 1 0 0 0 0 18 20 1 0 0 0 0 21 29 1 0 0 0 0 15 30 1 0 0 0 0 14 31 1 0 0 0 0 32 33 1 0 0 0 0 33 39 1 1 0 0 0 34 40 1 1 0 0 0 34 35 1 0 0 0 0 32 35 1 0 0 0 0 36 40 1 0 0 0 0 37 39 1 0 0 0 0 33 38 1 0 0 0 0 39 40 1 1 0 0 0 24 34 1 0 0 0 0 3 41 1 0 0 0 0 43 44 1 0 0 0 0 44 50 1 1 0 0 0 45 51 1 1 0 0 0 45 46 1 0 0 0 0 43 46 1 0 0 0 0 42 45 1 0 0 0 0 47 51 1 0 0 0 0 48 50 1 0 0 0 0 46 49 1 0 0 0 0 50 51 1 1 0 0 0 49 52 1 0 0 0 0 41 44 1 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 53 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 58 2 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7AACGL0085 FORMULA C35H41O23 EXACTMASS 829.203862618 AVERAGEMASS 829.68624 SMILES C(C(CO)1)(C(O)C(OC(O6)C(C(C(O)C6)O)O)C(Oc(c(c(c5)ccc(c(O)5)O)2)cc(c3OC(O4)C(O)C(O)C(C4COC(CC(O)=O)=O)O)c(cc(c3)O)[o+1]2)O1)O M END