Mol:FL6FHYNI0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.6797 -0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6797 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1234 -1.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5671 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5671 -0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1234 -0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0108 -1.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5455 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5455 -0.3555 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0108 -0.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1016 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6686 -0.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2356 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2356 0.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6686 0.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1016 0.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1234 0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6795 0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6795 1.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2356 1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1234 1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0369 0.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5368 1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5598 -1.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8453 -1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 -1.2820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3391 -2.2006 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 6 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 1 22 1 0 0 0 0 22 23 1 0 0 0 0 3 24 1 0 0 0 0 24 25 1 0 0 0 0 9 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 26 27 M SBL 3 1 28 M SMT 3 OCH3 M SVB 3 28 0.944 -1.282 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 24 25 M SBL 2 1 26 M SMT 2 OCH3 M SVB 2 26 -1.5598 -1.4796 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 -2.0369 0.2633 S SKP 8 ID FL6FHYNI0001 KNApSAcK_ID C00008785 NAME Tephrowatsin D CAS_RN 97640-82-9 FORMULA C23H28O4 EXACTMASS 368.19875938399997 AVERAGEMASS 368.46602 SMILES C(C)(C)=CCc(c(OC)3)c(c(c(OC)c3)1)OC(c(c2)cccc2)(CC1)OC M END
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