Mol:FL3FACNN0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 32 36 0 0 0 0 0 0 0 0999 V2000 -3.3697 -0.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3697 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8517 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3338 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3338 -0.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8517 -0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8158 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2978 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2978 -0.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8158 -0.2278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1553 -0.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4027 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4027 0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1553 0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 -0.5106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 0.7741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2515 0.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7994 0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3472 0.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3472 1.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7994 1.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2515 1.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 1.7270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1611 -0.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7477 -0.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7220 -0.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8517 -1.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8158 -1.7850 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 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 13 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 14 1 0 0 0 0 19 21 1 1 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 21 1 0 0 0 0 24 27 1 0 0 0 0 18 28 1 6 0 0 0 28 29 1 0 0 0 0 1 30 1 0 0 0 0 3 31 1 0 0 0 0 7 32 2 0 0 0 0 S SKP 8 ID FL3FACNN0001 KNApSAcK_ID C00000673 NAME Sinaticin CAS_RN - FORMULA C24H18O8 EXACTMASS 434.100167552 AVERAGEMASS 434.39492 SMILES c(c(O)5)c(c(c4c5)C(=O)C=C(O4)c(c1)cc(O2)c(OC(c(c3)ccc(O)c3)C(CO)2)c1)O M END
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