Mol:FL1CE9NP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 2.0997 0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0997 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6560 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2123 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2123 0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6560 0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8428 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3991 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2867 -0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2743 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2867 -1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2743 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8269 0.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3796 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3796 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8269 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8269 -1.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9322 0.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2781 0.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4848 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4848 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9322 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6716 1.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2123 0.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8269 1.2848 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 14 18 1 0 0 0 0 12 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 15 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 13 25 1 0 0 0 0 S SKP 8 ID FL1CE9NP0001 KNApSAcK_ID C00007108 NAME Mallotus A CAS_RN 116107-14-3 FORMULA C20H18O5 EXACTMASS 338.115423686 AVERAGEMASS 338.35392 SMILES c(c3)ccc(c3)C=CC(=O)c(c2O)c(O)c(C=1)c(c2O)OC(C1)(C)C M END