Mol:FL7DAAGO0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 40 44 0 0 0 0 0 0 0 0999 V2000 -0.4322 1.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4322 0.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2823 -0.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9967 0.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9967 1.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2823 1.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7112 -0.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4257 0.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4257 1.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7112 1.5342 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 3.1399 1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8681 1.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5963 1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5963 2.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8681 2.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1399 2.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3242 2.7952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2784 -0.8569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 -1.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4134 -2.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6206 -2.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0336 -1.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0416 -1.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4134 -1.5783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6206 -2.6719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9491 -2.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6091 -2.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3309 -2.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9486 -2.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3309 -1.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9322 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9322 -0.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2358 -0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2358 0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9322 1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6284 0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6284 -0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9322 1.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3242 1.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1464 1.5340 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 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 16 11 1 0 0 0 0 14 17 1 0 0 0 0 3 18 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 1 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 19 1 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 26 19 1 0 0 0 0 22 18 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 32 1 0 0 0 0 35 38 1 0 0 0 0 36 39 1 0 0 0 0 1 40 1 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7DAAGS0004 FORMULA C29H25O11 EXACTMASS 549.139686642 AVERAGEMASS 549.5022 SMILES c(c1)([o+1]4)c(ccc4c(c5)ccc(c5)O)c(OC(O2)C(O)C(O)C(COC(C=Cc(c3)ccc(c(O)3)O)=O)2)cc1O M END