Mol:FL1C2ANP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 3.0042 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5605 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1168 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1168 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5605 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4273 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3149 -0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3149 -1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2013 0.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3513 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3513 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2013 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2013 -1.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9038 -0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2013 1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4564 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9038 0.6467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4564 0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0904 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7239 0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3574 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9909 0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6244 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9909 1.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8435 0.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6729 0.6198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6729 0.7210 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 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 10 1 0 0 0 0 16 17 1 0 0 0 0 15 18 1 0 0 0 0 13 19 1 0 0 0 0 18 20 2 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 22 20 1 0 0 0 0 22 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 26 27 1 0 0 0 0 26 28 1 0 0 0 0 22 29 1 0 0 0 0 5 30 1 0 0 0 0 26 31 1 0 0 0 0 S SKP 8 ID FL1C2ANP0002 KNApSAcK_ID C00007144 NAME Flemingin E CAS_RN 50886-59-4 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES O=C(C=Cc(c3)ccc(O)c3)c(c2)c(O)c(c(c2O)1)C=CC(CC=CC(C)(C)O)(O1)C M END