Mol:FL3FEACS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -1.9435 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9435 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3872 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8309 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8309 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3872 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2746 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2817 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2817 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2746 -0.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2746 -2.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1418 2.0489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7474 1.5901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4905 0.9295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4836 0.2920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0203 0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3253 1.3332 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8453 2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3176 2.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1259 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3872 -2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8997 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4859 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0721 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0721 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4859 0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8997 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6580 0.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3007 -0.3380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8007 0.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8902 1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1757 1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6313 -1.3850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3457 -1.7977 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 12 13 1 1 0 0 0 13 14 1 1 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 6 15 1 0 0 0 0 3 21 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 22 9 1 0 0 0 0 25 28 1 0 0 0 0 1 29 1 0 0 0 0 29 30 1 0 0 0 0 17 31 1 0 0 0 0 31 32 1 0 0 0 0 2 33 1 0 0 0 0 33 34 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 31 32 M SBL 3 1 34 M SMT 3 CH2OH M SVB 3 34 -0.8902 1.5845 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 33 34 M SBL 2 1 36 M SMT 2 OCH3 M SVB 2 36 -2.658 -1.5077 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 29 30 M SBL 1 1 32 M SMT 1 OCH3 M SVB 1 32 -2.3007 -0.338 S SKP 8 ID FL3FEACS0001 KNApSAcK_ID C00006150 NAME Abrusin;8-C-Glucosyl-6,7-di-O-methyl-scutellarein;8-beta-D-Glucopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one CAS_RN 120727-02-8 FORMULA C23H24O11 EXACTMASS 476.13186161 AVERAGEMASS 476.43006 SMILES c(O)(c13)c(OC)c(c([C@H](O4)[C@@H](O)[C@@H](O)[C@H](C4CO)O)c1OC(=CC3=O)c(c2)ccc(c2)O)OC M END