Mol:FL7AACGL0133
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 39 0 0 0 0 0 0 0 0999 V2000 0.0330 -0.8250 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6815 -0.4125 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 -0.8251 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6815 0.4126 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1105 -0.4124 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 -1.6501 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0331 0.8252 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 0.8251 -2.5960 O 0 3 0 0 0 5 0 0 0 0 0 0 -2.1105 0.4127 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 -0.8250 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1104 -2.0626 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 1.6501 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7475 0.4127 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 0.8252 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 -1.6500 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5395 -0.4125 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1104 -2.8876 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7475 2.0626 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 0.8251 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5395 0.4127 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 1.6502 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7475 2.8876 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2539 0.8252 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1764 2.0627 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2539 -1.6263 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7444 -1.0965 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8793 -0.5140 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4929 -1.1833 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2358 -0.9709 2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9835 -1.1833 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3700 -0.5140 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6269 -0.7263 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1184 -0.5327 2.1664 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9328 -0.1964 2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1638 -0.7267 2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 3 5 1 0 3 6 1 0 4 7 1 0 4 8 2 0 5 9 2 0 5 10 1 0 6 11 2 0 7 12 1 0 7 13 2 0 8 9 1 0 9 14 1 0 10 15 1 0 10 16 2 0 11 15 1 0 11 17 1 0 12 18 2 0 13 19 1 0 14 20 2 0 16 20 1 0 18 21 1 0 18 22 1 0 19 21 2 0 20 23 1 0 21 24 1 0 27 28 1 0 28 29 1 1 29 30 1 1 31 30 1 1 31 32 1 0 32 27 1 0 27 33 1 0 32 34 1 0 30 26 1 0 31 35 1 0 25 26 1 0 1 28 1 0 M CHG 1 8 1 S SKP 9 AUTODRAW FALSE ID FL7AACGL0133 KNApSAcK_ID NAME Pyranocyanin B CAS_RN 294845-03-7 FORMULA C24H23O11 EXACTMASS 487.124036578 AVERAGEMASS 487.43282 SMILES OCC(O1)C(O)C(O)C(O)C1Oc(c(c(c5)cc(O)c(O)c5)2)c(C=4)c(c3OC(C)4)c(cc(O)c3)[o+1]2 M END