Mol:FL4DA9NI0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 0.2180 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7389 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2598 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2598 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7389 0.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7807 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3016 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3016 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7807 0.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7807 -1.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7389 -1.3721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8857 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4076 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9295 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9295 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4076 1.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8857 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8376 -1.0066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3028 0.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3023 -0.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8227 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3419 -0.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8611 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3419 -1.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3791 -0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8959 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4127 -0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9295 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4127 -1.3663 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 3 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 4 1 0 0 0 0 7 11 2 0 0 0 0 2 12 1 0 0 0 0 9 13 1 6 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 8 19 1 6 0 0 0 6 20 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 S SKP 8 ID FL4DA9NI0004 KNApSAcK_ID C00008646 NAME (2R,3S)-3,5,7-Trihydroxy-6-geranylflavanone CAS_RN 89648-69-1 FORMULA C25H28O5 EXACTMASS 408.193674006 AVERAGEMASS 408.48682 SMILES c(C(=O)3)(c1OC(C(O)3)c(c2)cccc2)c(c(CC=C(C)CCC=C(C)C)c(c1)O)O M END
</pre>