Mol:FL7AACGO0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -1.4489 0.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4489 0.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8926 -0.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3363 0.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3363 0.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8926 1.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -0.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 0.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 0.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 1.0444 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.3324 1.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8994 0.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4664 1.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4664 1.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8994 2.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3324 1.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0332 2.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0050 1.0443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8926 -0.8824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3528 -0.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8994 2.6808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0504 -1.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6487 -1.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0703 -1.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5122 -1.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9178 -0.9552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4238 -1.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6064 -1.3826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2749 -1.6223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7389 -1.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5573 -1.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1856 -2.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9862 -1.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1856 -0.7159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5573 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7566 -1.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 -1.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7187 -2.3546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0340 -2.6808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6064 -1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5282 -0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3251 -0.6103 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 14 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 15 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 19 1 0 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 1 0 0 0 36 31 1 1 0 0 0 36 37 1 0 0 0 0 31 38 1 0 0 0 0 32 39 1 0 0 0 0 33 40 1 0 0 0 0 35 20 1 0 0 0 0 27 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 -5.6742 6.2161 S SKP 8 ID FL7AACGS0006 KNApSAcK_ID C00006665 NAME Cyanidin 3-rhamnoside-5-glucoside CAS_RN 53859-12-4 FORMULA C27H31O15 EXACTMASS 595.166295322 AVERAGEMASS 595.52604 SMILES c(c4O)c(OC(O5)C(C(C(O)C5CO)O)O)c(c(c4)1)cc(OC(O3)C(C(O)C(O)C(C)3)O)c(c(c2)ccc(O)c(O)2)[o+1]1 M END