Mol:FLIDBANP0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 36 0 0 0 0 0 0 0 0999 V2000 -1.8568 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8568 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3005 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7442 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7442 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3005 1.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1879 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3684 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3684 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1879 1.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9245 0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9245 -0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5193 -0.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1141 -0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1141 0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5193 0.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1821 -0.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4131 1.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9694 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9694 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4131 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9694 1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4312 1.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7083 -0.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5193 -1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1141 -1.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7083 -1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4312 -1.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7083 -1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7369 0.2790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0225 -0.1335 0.0000 C 0 0 0 0 0 0 0 0 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 4 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 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 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 11 2 0 0 0 0 7 17 1 0 0 0 0 1 2 1 0 0 0 0 12 17 1 0 0 0 0 1 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 2 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 14 24 1 0 0 0 0 13 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 24 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 3 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 35 M SMT 1 OCH3 M SBV 1 35 -6.4347 5.1200 S SKP 8 ID FLIDBANP0002 KNApSAcK_ID C00009672 NAME Gangetinin CAS_RN 56280-23-0 FORMULA C26H26O5 EXACTMASS 418.178023942 AVERAGEMASS 418.48163999999997 SMILES C(=C6)c(c5OC)c(OC6(C)C)cc(c54)OCC(C43)c(c2)c(O3)c(c1c2)C=CC(C)(C)O1 M END
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