Mol:FL7AACGL0123
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 51 57 0 0 0 0 0 0 0 0999 V2000 -0.6431 0.8250 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3576 0.4125 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6431 1.6500 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0721 0.8250 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3576 -0.4125 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0714 2.0626 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3576 2.0625 -7.9733 O 0 3 0 0 0 6 0 0 0 0 0 0 -2.0721 1.6500 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7866 0.4125 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0721 -0.8250 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0713 2.8875 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7859 1.6500 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7866 2.0625 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7866 -0.4125 -7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5011 0.8250 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0721 -1.6500 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7859 3.3001 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5003 2.0625 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 1.6501 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3575 -2.0626 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7866 -2.0626 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5004 2.8875 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7858 4.1251 -7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2155 2.0626 -7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3576 -2.8876 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7866 -2.8876 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2148 3.3000 -7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 -3.3001 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0721 -4.1251 -7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2155 -0.4814 -6.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2289 0.1776 -6.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7937 -1.9321 7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1801 -1.2628 7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4372 -1.4752 7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6895 -1.2628 7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 -1.9321 7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0461 -1.7198 7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7840 -2.9045 7.5436 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5711 -2.5104 7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5092 -1.7194 7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0248 -1.3506 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5529 0.1123 -4.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6877 0.6948 -2.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3014 0.0256 -2.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0443 0.2379 -2.7813 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7919 0.0256 -2.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1784 0.6948 -2.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4354 0.4825 -2.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9269 0.6761 -3.2109 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7413 1.0124 -2.7813 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9723 0.4821 -2.7813 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 2 4 1 0 2 5 1 0 3 6 1 0 3 7 2 0 4 8 2 0 4 9 1 0 5 10 2 0 6 11 1 0 6 12 2 0 7 8 1 0 8 13 1 0 9 14 1 0 9 15 2 0 10 14 1 0 10 16 1 0 11 17 2 0 12 18 1 0 13 19 2 0 15 19 1 0 16 20 2 0 16 21 1 0 17 22 1 0 17 23 1 0 18 22 2 0 19 24 1 0 20 25 1 0 21 26 2 0 22 27 1 0 25 28 2 0 26 28 1 0 28 29 1 0 31 1 1 0 33 32 1 1 33 34 1 0 34 35 1 0 36 35 1 0 36 37 1 1 37 32 1 1 32 38 1 0 37 39 1 0 36 40 1 0 35 41 1 0 30 33 1 0 43 44 1 0 44 45 1 1 45 46 1 1 47 46 1 1 47 48 1 0 48 43 1 0 43 49 1 0 48 50 1 0 46 42 1 0 47 51 1 0 31 44 1 0 30 42 1 0 M CHG 1 7 1 S SKP 9 AUTODRAW FALSE ID FL7AACGL0123 KNApSAcK_ID NAME Pyranocyanin C CAS_RN 487021-49-8 FORMULA C35H35O16 EXACTMASS 711.192510072 AVERAGEMASS 711.6428 SMILES C(C(Oc(c(c(c7)cc(c(c7)O)O)5)c(c43)C=C(c(c6)ccc(O)c6)Oc3cc(O)cc4[o+1]5)1)(C(O)C(O)C(COC(C2O)OC(C(O)C2O)C)O1)O M END