Mol:FLIHBBNI0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -1.0650 0.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 -0.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5992 -0.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1334 -0.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1334 0.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5992 0.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3323 -0.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7981 -0.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7981 0.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3323 0.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5115 0.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9581 0.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9581 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5115 -0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9791 -1.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1978 -0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2952 -1.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8301 -1.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0488 -0.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7327 -0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3678 0.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5518 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5992 1.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0741 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0741 2.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3265 2.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4582 2.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3323 -0.9652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1506 0.5377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8373 -1.8446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5518 -2.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0809 -0.6070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3664 -1.0195 0.0000 C 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 4 7 1 0 0 0 0 7 8 2 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 1 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 2 1 0 0 0 0 15 16 2 0 0 0 0 16 8 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 16 1 0 0 0 0 12 21 1 1 0 0 0 12 22 1 6 0 0 0 6 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 25 27 1 0 0 0 0 7 28 1 0 0 0 0 9 29 2 0 0 0 0 18 30 1 0 0 0 0 30 31 1 0 0 0 0 3 32 1 0 0 0 0 32 33 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 33 M SMT 1 OCH3 M SBV 1 33 -4.6939 3.7596 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 32 33 M SBL 2 1 35 M SMT 2 OCH3 M SBV 2 35 -5.1828 4.0360 S SKP 8 ID FLIHBBNI0001 KNApSAcK_ID C00002543 NAME Lonchocarpenin CAS_RN 22263-56-5 FORMULA C27H28O6 EXACTMASS 448.188588628 AVERAGEMASS 448.50762000000003 SMILES c(c4)c(ccc(OC)4)C(=C(O)1)C(=O)Oc(c(CC=C(C)C)2)c1c(c(C=3)c(OC(C)(C)C3)2)OC M END
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