Mol:FL2FA8NI0005
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 -1.2373 -1.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7165 -2.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1956 -1.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1956 -1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7165 -0.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2373 -1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3253 -2.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8462 -1.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8462 -1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3253 -0.8231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3666 -0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3253 -2.5499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9009 -1.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4353 -0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4353 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9009 0.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3666 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7165 -2.6269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8331 0.1017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9009 -1.7479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7165 0.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2373 0.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2373 1.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8363 1.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8363 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4353 0.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8363 -0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6642 -0.8774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8363 2.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4341 2.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2385 2.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3733 -0.1024 0.0000 O 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 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 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 17 2 0 0 0 0 17 11 1 0 0 0 0 2 18 1 0 0 0 0 17 19 1 0 0 0 0 13 20 1 0 0 0 0 5 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 6 28 1 0 0 0 0 24 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 25 32 1 0 0 0 0 S SKP 8 ID FL2FA8NI0005 KNApSAcK_ID C00008542 NAME Exiguaflavanone M CAS_RN 156281-23-1 FORMULA C25H30O7 EXACTMASS 442.199153314 AVERAGEMASS 442.50149999999996 SMILES c(C2=O)(c(OC(c(c(O)3)c(O)ccc3)C2)1)c(cc(O)c(CC(C(C)(C)O)CC=C(C)C)1)O M END
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