Mol:FL5FFAGS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -2.1681 -0.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1681 -1.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4536 -2.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7392 -1.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7392 -0.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4536 -0.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0247 -2.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6897 -1.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6897 -0.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0247 -0.5109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0247 -2.8041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4039 -0.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1321 -0.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 -0.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 0.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1321 0.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4039 0.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8823 -0.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3921 -2.1620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4536 -2.9855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4822 0.8652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8649 2.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2303 1.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5456 1.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 0.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9335 1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6185 1.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2649 2.9855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4822 2.3950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6202 0.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4536 0.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 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 1 2 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 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 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 12 1 0 0 0 0 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 15 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 6 31 1 0 0 0 0 31 25 1 0 0 0 0 S SKP 5 ID FL5FFAGS0005 FORMULA C20H18O11 EXACTMASS 434.084911418 AVERAGEMASS 434.35032 SMILES c(c4)c(ccc(O)4)C(O1)=C(C(c(c2O)c1c(OC(O3)C(O)C(C(O)C3)O)c(O)c2)=O)O M END