Mol:FL5FACGS0062
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 2.1364 1.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1364 0.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8509 0.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5654 0.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5654 1.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8509 2.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 0.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7075 0.9247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 0.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -0.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7075 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 -0.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7214 0.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4359 0.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4359 -0.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7214 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7075 -1.5503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1504 0.9247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1364 -0.7253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7214 -1.5503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1573 2.0914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1939 0.5618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5222 -1.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1096 -1.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3112 -1.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5177 -1.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9303 -1.0578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7287 -1.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1231 -0.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1939 -1.2610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8488 -1.6351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7659 -2.1622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8083 -0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6412 -0.7394 0.0000 O 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 29 33 2 0 0 0 0 29 34 1 0 0 0 0 26 20 1 0 0 0 0 S SKP 5 ID FL5FACGS0062 FORMULA C21H18O13 EXACTMASS 478.07474066199995 AVERAGEMASS 478.35982 SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c21)cc(O)cc1OC(c(c3)cc(c(O)c3)O)=C(C2=O)O)O)O M END