Mol:FL3FE9GS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -0.1746 0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1746 -0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5242 -1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2231 -0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2231 0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5242 0.5689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 -1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6208 -0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6208 0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3191 0.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0596 0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8003 0.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8003 1.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0596 1.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3191 1.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5242 -1.8514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 0.5686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 -1.8509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2398 0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5341 -0.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6669 0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6689 0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3746 0.8494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2419 0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8277 -0.3657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8003 0.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2699 -0.4141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7690 0.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3743 1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4135 0.9220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 -1.0447 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 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 3 17 1 0 0 0 0 1 18 1 0 0 0 0 7 19 2 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 23 18 1 0 0 0 0 22 26 1 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 25 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 2 32 1 0 0 0 0 S SKP 5 ID FL3FE9GS0001 FORMULA C21H18O11 EXACTMASS 446.084911418 AVERAGEMASS 446.36102 SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c1O)cc(O2)c(C(=O)C=C(c(c3)cccc3)2)c1O)O)O M END