Mol:FLIA1ACS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 -2.4469 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4469 -1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7325 -1.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0181 -1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0181 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7325 -0.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3037 -1.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4107 -1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4107 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3037 -0.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3037 -2.5109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0671 -0.2722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3378 0.8546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6085 0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 1.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6085 2.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3378 2.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1065 1.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1368 3.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6498 2.7527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6718 2.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3023 0.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4399 1.5466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2484 1.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9390 1.4923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2683 2.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1778 -2.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9306 -3.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6835 -2.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6835 -1.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9306 -1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1778 -1.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4357 -3.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1881 -2.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9390 -3.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1881 -1.8938 0.0000 C 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 1 12 1 0 0 0 0 14 13 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 1 0 0 0 18 13 1 1 0 0 0 17 19 1 0 0 0 0 16 20 1 0 0 0 0 18 21 1 0 0 0 0 15 22 1 0 0 0 0 14 6 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 32 8 1 0 0 0 0 29 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 S SKP 5 ID FLIA1ACS0003 FORMULA C25H24O11 EXACTMASS 500.13186161 AVERAGEMASS 500.45146 SMILES C(C(O1)C(O)C(C(C1c(c32)c(ccc(C(C(c(c4)ccc(OC(C)=O)c4)=CO3)=O)2)O)O)O)OC(C)=O M END