Mol:FL2FAAGI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 47 51 0 0 0 0 0 0 0 0999 V2000 -2.2504 -0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2504 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5357 -1.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8209 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8209 -0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5357 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1061 -1.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6086 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6086 -0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1061 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3231 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0515 -0.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 0.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0515 1.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3231 0.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1061 -2.3491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5083 1.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5357 -2.4754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5357 0.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2502 1.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2502 2.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5357 2.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9647 2.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3935 0.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9514 -0.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3146 -0.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7004 -0.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1467 0.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7971 -0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8869 -0.2455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5656 -0.5444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8194 -0.5827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0516 0.0844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4608 1.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1162 1.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7790 1.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4458 1.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7904 1.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1277 1.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8629 1.5970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 1.9961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2703 1.6286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0270 0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2703 1.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9857 1.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9583 -0.1243 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 1 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 7 17 2 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 25 26 1 1 0 0 0 26 27 1 1 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 25 1 0 0 0 0 25 31 1 0 0 0 0 26 32 1 0 0 0 0 27 33 1 0 0 0 0 28 34 1 0 0 0 0 34 1 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 1 0 0 0 37 38 1 1 0 0 0 39 38 1 1 0 0 0 39 40 1 0 0 0 0 40 35 1 0 0 0 0 35 41 1 0 0 0 0 40 42 1 0 0 0 0 39 43 1 0 0 0 0 36 18 1 0 0 0 0 44 45 1 0 0 0 0 30 44 1 0 0 0 0 46 47 1 0 0 0 0 38 46 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 44 45 M SBL 1 1 49 M SMT 1 ^ CH2OH M SBV 1 49 0.2299 -0.8346 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 46 47 M SBL 2 1 51 M SMT 2 CH2OH M SBV 2 51 -0.5399 0.0000 S SKP 5 ID FL2FAAGI0001 FORMULA C32H40O15 EXACTMASS 664.23672061 AVERAGEMASS 664.651 SMILES O(C(c(c5)ccc(c5)OC(O4)C(O)C(C(O)C(CO)4)O)3)c(c(C(=O)C3)1)c(c(OC(C(O)2)OC(CO)C(C2O)O)cc1O)CC=C(C)C M END