Mol:FL1CA9NP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 1.3620 -0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 -0.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9183 -1.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4746 -0.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4746 -0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9183 0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -0.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6613 -1.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4511 -1.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4511 -1.7995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5647 0.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1173 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1173 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5647 -1.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5647 -1.7823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4383 0.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4383 0.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 1.1381 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5858 0.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 1.7995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1246 0.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0953 1.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4746 0.4318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9746 1.2978 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 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 10 1 0 0 0 0 17 16 1 0 0 0 0 12 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 13 1 0 0 0 0 20 22 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 14 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 27 M SMT 1 OCH3 M SVB 1 27 -2.4746 0.4318 S SKP 8 ID FL1CA9NP0003 KNApSAcK_ID C00007082 NAME Helichromanochalcone CAS_RN 72247-81-5 FORMULA C21H22O5 EXACTMASS 354.146723814 AVERAGEMASS 354.39638 SMILES COc(c3)c(c1c(c(O)3)C(=O)C=Cc(c2)cccc2)CC(C(O1)(C)C)O M END