Mol:FL5FAHGL0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 56 61 0 0 0 0 0 0 0 0999 V2000 -0.7143 0.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7143 0.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0002 -0.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7146 0.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4291 -0.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 0.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4288 1.3381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4291 -0.9550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8576 1.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5857 0.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3138 1.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3138 2.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5858 2.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8576 2.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4285 1.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8985 -0.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0003 -1.1365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0553 -2.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2062 -2.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9206 -3.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2753 -4.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1245 -3.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4100 -3.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5465 -2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0418 -0.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1926 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9071 -1.5148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2618 -2.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1110 -2.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3965 -1.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5525 -0.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2560 -1.7008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3240 -2.8092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7919 -2.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -3.2782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9587 -2.1419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9354 -3.2364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7180 -4.5008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8930 2.5663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9672 0.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2508 1.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9803 0.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1988 0.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7825 1.4877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5484 1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9190 1.0770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5088 0.6534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2397 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5858 3.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1527 4.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0709 1.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3240 2.0167 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 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 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 32 36 1 0 0 0 0 31 37 1 0 0 0 0 25 38 1 0 0 0 0 37 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 29 19 1 0 0 0 0 42 15 1 0 0 0 0 14 43 1 0 0 0 0 44 45 1 1 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 44 1 0 0 0 0 44 50 1 0 0 0 0 45 51 1 0 0 0 0 46 52 1 0 0 0 0 47 18 1 0 0 0 0 53 54 1 0 0 0 0 16 53 1 0 0 0 0 55 56 1 0 0 0 0 49 55 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 53 54 M SBL 1 1 59 M SMT 1 OCH3 M SBV 1 59 0.0000 -0.7494 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 55 56 M SBL 2 1 61 M SMT 2 ^ CH2OH M SBV 2 61 0.5225 -0.5225 S SKP 5 ID FL5FAHGL0004 FORMULA C34H42O22 EXACTMASS 802.216773028 AVERAGEMASS 802.68408 SMILES C(C(O)6)(OC(C(O)C(O)6)Oc(c1)cc(c(C3=O)c1OC(=C(OC(C5O)OC(C(C(O)5)O)COC(C4O)OC(C)C(C4O)O)3)c(c2)cc(c(c2OC)O)O)O)CO M END
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