Mol:FL5FECNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 38 0 0 0 0 0 0 0 0999 V2000 -3.5708 -0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5660 0.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8837 -1.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1525 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1315 0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8491 0.6021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4344 0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2533 0.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9859 0.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9979 -0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3040 -1.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0066 0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0121 1.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7315 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4125 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2907 -1.8645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8704 -1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4315 -1.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7070 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7057 1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7004 0.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4201 1.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4214 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6823 -1.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3968 -0.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1346 1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8491 1.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8491 0.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5635 1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2780 1.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9925 1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7070 1.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3915 0.8281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4214 1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2373 0.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 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 2 1 0 0 0 0 7 8 1 0 0 0 0 8 5 1 0 0 0 0 2 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 1 2 0 0 0 0 7 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 8 2 0 0 0 0 12 17 1 0 0 0 0 3 18 2 0 0 0 0 4 19 1 0 0 0 0 10 20 1 0 0 0 0 21 14 1 0 0 0 0 13 22 1 0 0 0 0 21 23 1 0 0 0 0 20 24 1 0 0 0 0 11 25 1 0 0 0 0 25 26 1 0 0 0 0 23 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 S SKP 8 ID FL5FECNI0002 KNApSAcK_ID C00013528 NAME Geranioloxyalatum flavone;3,5-Dihydroxy-2-[3-hydroxy-4-[(7-hydroxy-3,7-dimethyloctyl)oxy]phenyl]-6,7-dimethoxy-4H-1-benzopyran-4-one CAS_RN 252351-60-3 FORMULA C27H34O9 EXACTMASS 502.220282686 AVERAGEMASS 502.55346000000003 SMILES C(CC(CCOc(c1)c(cc(C(=C3O)Oc(c(C3=O)2)cc(c(OC)c(O)2)OC)c1)O)C)CC(C)(C)O M END