Mol:FL3FA9NP0006
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -0.3082 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3082 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0227 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7372 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7372 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0227 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4062 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1207 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1207 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4062 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8352 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5496 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2641 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2641 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5496 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8352 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4062 -2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0227 -2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7372 -3.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0227 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7372 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4517 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4517 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2641 0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7338 1.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7372 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4517 3.0937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4517 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1661 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3082 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0227 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3082 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4062 2.2687 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 1 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 2 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 7 17 2 0 0 0 0 6 18 1 0 0 0 0 18 19 1 0 0 0 0 3 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 4 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 21 26 1 6 0 0 0 26 28 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 20 30 1 1 0 0 0 30 32 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 S SKP 8 ID FL3FA9NP0006 KNApSAcK_ID C00013429 NAME (9R,10S)-rel-(-)-9,10-bis(Acetyloxy)-9,10-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one CAS_RN 613246-07-4 FORMULA C25H24O8 EXACTMASS 452.14711774399996 AVERAGEMASS 452.45326 SMILES O(c42)C(=CC(=O)c2c(cc(c43)OC(C(OC(C)=O)C3OC(C)=O)(C)C)OC)c(c1)cccc1 M END
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