Mol:FL5FACGL0037
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 56 61 0 0 0 0 0 0 0 0999 V2000 -1.0910 1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3765 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3765 1.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0524 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7669 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7669 1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0524 1.4465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0524 -0.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4811 1.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2093 1.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 1.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 2.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2093 2.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4811 2.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3765 -0.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8052 1.4463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6654 2.7074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5159 -0.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6386 -0.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8191 -0.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6601 -0.9483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2148 -1.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0345 -1.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1934 -0.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9736 -0.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5163 -1.7900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2093 3.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5665 1.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0421 0.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2870 1.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5583 1.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0878 1.5946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7484 1.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2907 1.2914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7914 0.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6879 0.5975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9549 0.1046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8874 -1.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9834 -2.5912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3016 -2.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 -3.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5811 -3.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3098 -3.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7803 -2.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1197 -2.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5994 -2.9381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0767 -3.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1802 -3.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3508 1.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5163 1.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7681 2.7758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4788 -2.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6376 -1.5311 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 8 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 26 29 1 0 0 0 0 16 30 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 19 1 0 0 0 0 23 21 1 0 0 0 0 22 40 1 0 0 0 0 41 42 1 0 0 0 0 41 25 1 0 0 0 0 43 44 1 1 0 0 0 44 45 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 43 1 0 0 0 0 43 49 1 0 0 0 0 44 50 1 0 0 0 0 45 51 1 0 0 0 0 46 42 1 0 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 36 52 1 0 0 0 0 48 55 1 0 0 0 0 55 56 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 52 53 54 M SBL 1 1 59 M SMT 1 ^ COOH M SBV 1 59 0.6024 -0.5205 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 55 56 M SBL 2 1 60 M SMT 2 ^CH2OH M SBV 2 60 0.6409 -0.5590 S SKP 5 ID FL5FACGL0037 FORMULA C33H38O23 EXACTMASS 802.180387522 AVERAGEMASS 802.64102 SMILES O(C(C6O)OC(C(O)=O)C(O)C(O)6)c(c5)cc(c(c(O)5)4)OC(=C(C4=O)OC(C2O)OC(COC(O3)C(C(O)C(C(CO)3)O)O)C(O)C(O)2)c(c1)ccc(O)c(O)1 M END
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