Mol:057e FLIF
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 37 0 0 0 0 0 0 0 0999 V2000 -1.8045 0.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8045 -0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0901 -0.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3756 -0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3756 0.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0901 1.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3389 -0.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0533 -0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0533 0.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3389 1.1024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7675 -0.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7675 -1.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5314 -1.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2953 -1.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2953 -0.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5314 -0.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3389 -1.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 1.1024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0585 -1.8701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0901 1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8043 2.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8043 3.1641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5314 -2.7516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7678 1.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5291 0.6553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2459 -3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0585 -2.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0533 1.5149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0533 -0.9600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 1.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2335 2.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0585 2.3399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2335 1.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 8 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 11 2 0 1 2 2 0 7 17 2 0 1 18 1 0 14 19 1 0 6 20 1 0 20 21 2 0 21 22 1 0 13 23 1 0 9 24 1 0 24 25 1 0 25 16 1 0 23 26 1 0 19 27 1 0 9 28 1 1 8 29 1 1 18 30 1 0 21 30 1 0 30 31 1 0 31 32 1 0 30 33 1 0 S SKP 5 ID 057eFLIF FORMULA C23H22O9 EXACTMASS 442.126382302 AVERAGEMASS 442.41538 SMILES COc(c5)c(OC)cc(c54)C(O)(C(=O)1)C([H])(CO4)Oc(c32)c(ccc(OC(C)(CO)C(O)=C3)2)1 M END