Mol:FL7AACGA0012
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 64 70 0 0 0 0 0 0 0 0999 V2000 -1.7747 0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7748 -0.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0533 -1.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3318 -0.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3318 0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0532 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3897 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1112 -0.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1112 0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3897 0.5708 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.8324 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5677 0.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3031 0.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5676 1.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8324 1.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4960 0.5707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0381 1.8441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0532 -1.9281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9011 -1.1624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9692 -2.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -3.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3248 -2.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0120 -3.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3061 -2.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6562 -2.6831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2421 -2.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9122 -0.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4831 -1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2332 -1.1121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9490 -1.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3588 -0.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5852 -0.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1932 -0.7242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9247 -0.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6402 -1.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1132 -1.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0191 -3.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9343 -3.6561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0439 -3.7336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5676 2.6931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9027 -0.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5919 -0.8720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9027 0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5833 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5863 1.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8743 1.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8782 2.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5940 3.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3061 2.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3022 1.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5940 3.7336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4513 -1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9697 -2.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2764 -2.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6077 -2.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0937 -1.8308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7002 -2.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1181 -2.1545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6967 -2.5503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5892 -2.7860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1987 -1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1895 -0.9075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1888 0.0336 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 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 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 1 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 28 1 0 0 0 0 28 34 1 0 0 0 0 33 35 1 0 0 0 0 31 36 1 0 0 0 0 25 37 1 0 0 0 0 36 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 29 20 1 0 0 0 0 15 41 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 46 1 0 0 0 0 49 52 1 0 0 0 0 53 54 1 1 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 53 1 0 0 0 0 53 59 1 0 0 0 0 54 60 1 0 0 0 0 55 61 1 0 0 0 0 58 62 1 0 0 0 0 56 19 1 0 0 0 0 62 63 1 0 0 0 0 63 42 1 0 0 0 0 32 64 1 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7AACGA0012 FORMULA C42H47O22 EXACTMASS 903.255898188 AVERAGEMASS 903.80938 SMILES C(C(O)1)(C(OCC(O2)C(C(O)C(O)C2Oc(c4)c([o+1]c(c7)c4c(cc7O)OC(O5)C(O)C(C(C(COC(=O)C=Cc(c6)ccc(O)c6)5)O)O)c(c3)ccc(O)c3O)O)OC(C)C(O)1)O M END
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