Mol:FLIAAAGS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -0.5548 1.0095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 0.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5578 1.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1139 0.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1139 0.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6907 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2674 0.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2674 0.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6907 1.0215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0017 0.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5578 -0.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6907 -0.9760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8437 -0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8437 -0.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3951 -1.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9464 -0.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9464 -0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3951 0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4978 -1.2652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6999 0.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3537 0.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8551 0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3354 0.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7236 0.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2329 0.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5403 0.4156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8934 0.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5694 -0.1020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5746 -0.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1606 -1.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1292 -0.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5961 -0.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1495 -0.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5992 -0.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0489 -0.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0489 -1.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5992 -1.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1495 -1.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4978 -1.4657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5473 -0.9154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4385 1.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 1.0537 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 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 10 11 2 0 0 0 0 11 5 1 0 0 0 0 6 12 2 0 0 0 0 7 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 16 19 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 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 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 23 1 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 33 1 0 0 0 0 36 39 1 0 0 0 0 11 40 1 0 0 0 0 25 41 1 0 0 0 0 41 42 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 41 42 M SBL 1 1 45 M SMT 1 ^CH2OH M SBV 1 45 -6.4682 2.9603 S SKP 8 ID FLIAAAGS0011 KNApSAcK_ID C00010164 NAME Genistein 7-O-(2''-p-coumaroylglucoside) CAS_RN 106915-84-8 FORMULA C30H26O12 EXACTMASS 578.1424262959999 AVERAGEMASS 578.5202400000001 SMILES C(O4)(C(OC(=O)C=Cc(c5)ccc(c5)O)C(C(C4CO)O)O)Oc(c1)cc(O3)c(C(C(=C3)c(c2)ccc(c2)O)=O)c1O M END