Mol:FL7D1CNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 34 0 0 0 0 0 0 0 0999 V2000 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8578 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8578 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 2 0 2 5 1 0 2 6 2 0 3 7 1 0 3 8 2 0 4 9 1 0 4 10 1 0 5 11 1 0 5 12 2 0 6 13 1 0 7 14 1 0 7 15 2 0 8 12 1 0 9 14 2 0 10 16 1 0 11 17 2 0 13 17 1 0 13 18 2 0 14 19 1 0 15 20 1 0 17 21 1 0 19 22 1 0 20 22 2 0 22 23 1 0 23 24 1 0 23 25 2 0 24 26 2 0 25 27 1 0 26 28 1 0 26 29 1 0 27 28 2 0 28 30 1 0 S SKP 9 AUTODRAW FALSE ID FL7D1CNS0002 KNApSAcK_ID NAME Sphagnorubin B CAS_RN 84018-30-4 FORMULA C24H16O6 EXACTMASS 400.094688244 AVERAGEMASS 400.38024 SMILES Oc(c5)c(O)cc(c5)C(=C4)Oc(c3)c(=C4)c(c1)c(c(OC)3)c(c2)c(cc(O)c(=O)2)c1 M END