Mol:FL5FACNI0006
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 -2.1544 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1504 -0.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4538 -1.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7297 -1.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7211 -0.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -0.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7011 -0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0066 -0.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8511 0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5762 -0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5815 -1.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8771 -1.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4267 0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3935 0.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6598 1.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 0.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8771 -2.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4538 -2.4787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0153 -1.6645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2907 0.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6598 2.0771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1412 -0.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8639 0.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5741 -0.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5741 -1.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2907 0.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8511 0.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5623 1.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5623 2.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2760 2.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8471 2.4787 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 15 22 1 0 0 0 0 13 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 9 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 S SKP 8 ID FL5FACNI0006 KNApSAcK_ID C00013523 NAME Broussonol D;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-3,5,7-trihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one CAS_RN 370563-90-9 FORMULA C25H26O7 EXACTMASS 438.167853186 AVERAGEMASS 438.46974 SMILES Oc(c1)c(c(cc(C(=C3O)Oc(c(C(=O)3)2)c(c(cc(O)2)O)CC=C(C)C)1)CC=C(C)C)O M END
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