Mol:FL1DDAGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 36 0 0 0 0 0 0 0 0999 V2000 -2.6559 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6559 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9415 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9415 0.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2019 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2019 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9164 0.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6309 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3454 0.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3454 1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6309 2.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9164 1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 -1.6715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 0.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0598 2.0410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9415 -1.6715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3704 0.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7504 -0.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5327 -0.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8657 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0833 0.8331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 0.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5246 -0.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1580 -0.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0633 -1.2657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1520 -0.8416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0793 0.0681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0793 0.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5813 -2.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 1.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 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 10 1 0 0 0 0 7 16 2 0 0 0 0 5 17 1 0 0 0 0 1 20 1 0 0 0 0 3 19 1 0 0 0 0 13 18 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 20 32 1 0 0 0 0 19 33 1 0 0 0 0 17 34 1 0 0 0 0 24 18 1 0 0 0 0 S SKP 8 ID FL1DDAGS0001 KNApSAcK_ID C00014633 NAME Bidenoside B;4-Hydroxy-2',4',6'-trimethoxydihydrochalcone 4-O-glucoside CAS_RN 698392-66-4 FORMULA C24H30O10 EXACTMASS 478.18389718 AVERAGEMASS 478.48900000000003 SMILES O(c(c2)ccc(CCC(c(c(OC)3)c(OC)cc(OC)c3)=O)c2)C(C(O)1)OC(C(O)C(O)1)CO M END