Mol:FL2FALNP0005
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.4873 0.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4873 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -0.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3747 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3747 0.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1816 -0.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7379 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7379 0.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1816 0.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8609 0.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4279 0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4279 1.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8609 1.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 1.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1816 -1.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -1.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7271 1.3378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0434 -0.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5995 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1544 -0.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7094 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1544 -1.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4873 1.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0437 0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0437 0.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1971 1.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5716 0.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9949 1.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7094 0.9254 0.0000 C 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 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 9 11 1 0 0 0 0 11 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 11 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 16 19 1 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 6 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 1 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 14 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 34 M SMT 1 OCH3 M SBV 1 34 -3.7212 5.7453 S SKP 8 ID FL2FALNP0005 KNApSAcK_ID C00008333 NAME Fleminone CAS_RN 88660-16-6 FORMULA C26H28O6 EXACTMASS 436.188588628 AVERAGEMASS 436.49692 SMILES c(OC)(c4)ccc(c4O)C(C3)Oc(c2C(=O)3)c(C=1)c(c(c2O)CC=C(C)C)OC(C)(C)C1 M END
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