Mol:FL7AACGL0046
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 50 54 0 0 0 0 0 0 0 0999 V2000 -3.1842 0.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1842 -0.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6279 -0.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0716 -0.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0716 0.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6279 0.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5153 -0.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -0.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 0.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5153 0.8997 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -0.4029 0.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1641 0.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 0.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 1.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1641 1.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4029 1.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7403 0.8996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2978 1.8815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6279 -1.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5429 -0.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1641 2.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7867 -1.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4155 -1.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8810 -1.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3653 -1.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7400 -1.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2076 -1.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3005 -1.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9941 -1.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5748 -2.0976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6725 -0.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7176 -0.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4168 -0.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9953 -0.7989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5773 -0.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8782 -0.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2996 -0.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1589 -0.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5378 -0.1960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5815 -0.6317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1288 -0.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4734 -1.5610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0446 -1.8908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 -1.5505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0446 -2.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6725 -0.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1458 -1.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7232 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3005 -1.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7232 -0.9251 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 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 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 27 31 1 0 0 0 0 25 19 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 32 38 1 0 0 0 0 37 39 1 0 0 0 0 36 40 1 0 0 0 0 35 41 1 0 0 0 0 33 20 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 2 0 0 0 0 31 46 1 0 0 0 0 44 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 S SKP 8 ID FL7AACGL0046 KNApSAcK_ID C00006817 NAME Succinylcyanin CAS_RN 89148-78-7 FORMULA C31H35O19 EXACTMASS 711.1772539379999 AVERAGEMASS 711.5982 SMILES c(c(O)5)(cc(cc5)c(c(OC(O4)C(O)C(C(C4COC(CCC(O)=O)=O)O)O)1)[o+1]c(c3)c(c(cc3O)OC(O2)C(C(O)C(O)C2CO)O)c1)O M END