Mol:FL3FACNSS003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.2538 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2538 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8027 -1.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3517 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3517 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8027 0.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9006 -1.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4495 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4495 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9006 0.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9006 -1.4187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0014 0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4611 -0.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9208 0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9208 0.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4611 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0014 0.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7733 0.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8027 -1.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4611 1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2967 0.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2967 1.0580 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7982 1.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7733 1.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2967 1.5323 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 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 18 1 1 0 0 0 0 3 19 1 0 0 0 0 16 20 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 2 0 0 0 0 23 15 1 0 0 0 0 S SKP 8 ID FL3FACNSS003 KNApSAcK_ID C00004330 NAME Luteolin 4'-sulfate CAS_RN 60889-07-8 FORMULA C15H10O9S EXACTMASS 366.00455260800004 AVERAGEMASS 366.30050000000006 SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C=C1c(c2)cc(O)c(c2)OS(O)(=O)=O M END