Mol:FL4DRNNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 40 0 0 0 0 0 0 0 0999 V2000 -1.1852 -1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6643 -1.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1434 -1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1434 -0.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6643 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1852 -0.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3775 -1.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8983 -1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8983 -0.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3775 -0.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3775 -1.9908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4187 -1.4666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6643 -2.0678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7056 -0.2643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8239 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4704 -0.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4221 -0.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3132 0.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 0.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2643 -0.1903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8983 -1.9711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8983 0.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2756 0.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2756 1.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3472 1.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8983 1.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7056 -1.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2259 -1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7451 -1.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2643 -1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7451 -2.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6753 0.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2919 0.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2919 1.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9147 2.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6692 2.0678 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 3 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 4 1 0 0 0 0 7 11 2 0 0 0 0 8 12 1 0 0 0 0 2 13 1 0 0 0 0 6 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 2 0 0 0 0 16 9 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 16 1 0 0 0 0 18 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 1 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 33 5 1 0 0 0 0 S SKP 8 ID FL4DRNNI0002 KNApSAcK_ID C00008633 NAME Sorocein G CAS_RN 163633-92-9 FORMULA C30H34O7 EXACTMASS 506.230453442 AVERAGEMASS 506.58676 SMILES C(Cc(c(O)4)c(c(c(c14)OC(CC=C(C)C)(c32)C(Oc2cc(cc3)O)(C1=O)O)CC=C(C)C)O)=C(C)C M END