Mol:FL2FELNS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -2.1172 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1172 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5609 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0046 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0046 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5609 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4483 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -0.1713 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4483 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6641 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2311 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2311 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6641 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4483 -1.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8317 -0.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8236 -0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5145 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2289 1.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 -0.3504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5300 -0.8504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4745 0.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9746 1.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5609 -2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5609 -3.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3068 1.4232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1932 2.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 0.4819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5486 0.1159 0.0000 C 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 1 0 0 0 0 9 10 1 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 7 17 2 0 0 0 0 2 18 1 0 0 0 0 18 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 0 0 0 0 1 24 1 0 0 0 0 24 25 1 0 0 0 0 3 26 1 0 0 0 0 26 27 1 0 0 0 0 16 28 1 0 0 0 0 28 29 1 0 0 0 0 14 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 7 SUP M SLB 1 7 7 M SAL 7 2 30 31 M SBL 7 1 32 M SMT 7 OCH3 M SVB 7 32 2.618 0.4819 M STY 1 6 SUP M SLB 1 6 6 M SAL 6 2 28 29 M SBL 6 1 30 M SMT 6 OCH3 M SVB 6 30 0.3068 1.4232 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 2 26 27 M SBL 5 1 28 M SMT 5 OCH3 M SVB 5 28 -1.9973 -1.2954 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 24 25 M SBL 4 1 26 M SMT 4 OCH3 M SVB 4 26 -2.4745 0.4474 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 22 23 M SBL 3 1 24 M SMT 3 OCH3 M SVB 3 24 2.0348 -0.0165 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 20 21 M SBL 2 1 22 M SMT 2 OCH3 M SVB 2 22 1.5145 1.7079 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 20 M SMT 1 OCH3 M SVB 1 20 -2.8317 -0.7222 S SKP 8 ID FL2FELNS0001 KNApSAcK_ID C00008348 NAME 5,6,7,2',3',4',5'-Heptamethoxyflavanone CAS_RN 105801-22-7 FORMULA C22H26O9 EXACTMASS 434.15768243 AVERAGEMASS 434.43644 SMILES O(C)c(c3OC)cc(c(c(OC)3)1)OC(c(c2)c(OC)c(OC)c(OC)c(OC)2)CC(=O)1 M END
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