Mol:FL5FAEGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -2.2997 0.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2997 -0.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7434 -0.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1871 -0.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1871 0.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7434 0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6308 -0.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0745 -0.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0745 0.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6308 0.8175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6308 -0.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4816 0.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0486 0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6155 0.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6155 1.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0486 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4816 1.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8558 0.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7434 -1.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4816 -0.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0486 2.4540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 -1.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9222 -1.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7229 -1.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9222 -0.4890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 -0.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4933 -0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2636 -0.8238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4554 -2.1278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7707 -2.4540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3431 -1.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1413 1.9116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8558 1.4991 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 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 16 21 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 27 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 26 20 1 0 0 0 0 15 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 35 M SMT 1 OCH3 M SBV 1 35 -8.0398 6.8964 S SKP 8 ID FL5FAEGS0001 KNApSAcK_ID C00005592 NAME Tamarixetin 3-rhamnoside CAS_RN 87562-18-3 FORMULA C22H22O11 EXACTMASS 462.116211546 AVERAGEMASS 462.40348000000006 SMILES Oc(c1)c(ccc1C(O3)=C(C(c(c4O)c3cc(c4)O)=O)OC(O2)C(O)C(C(O)C(C)2)O)OC M END