Mol:FL5FADGA0025
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 57 62 0 0 0 0 0 0 0 0999 V2000 -3.5532 2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5532 1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8525 0.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1517 1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1517 2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8525 2.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4510 0.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7503 1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7503 2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4510 2.4176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4510 0.1684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0498 2.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6644 2.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3786 2.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3786 3.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6644 3.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0498 3.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8525 -0.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4664 -0.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8942 -1.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8332 -1.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7779 -1.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2537 -0.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3273 -1.0316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6888 -0.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3776 1.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8893 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8284 0.8089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7730 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2615 1.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3224 1.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0502 0.7897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 1.6007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0978 2.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5666 0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0705 0.1658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2954 -1.3692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2003 -2.0161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7779 -2.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4969 1.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2537 2.4174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0171 3.7055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7193 -2.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1472 -3.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7842 -2.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3531 -3.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5077 -3.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9201 -2.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7451 -2.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1577 -3.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7451 -4.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9201 -4.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7951 -3.5371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6529 4.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2089 5.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2118 -4.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3119 -5.5076 0.0000 C 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 19 20 1 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 19 1 0 0 0 0 19 25 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 1 0 0 0 30 29 1 1 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 31 33 1 0 0 0 0 30 34 1 0 0 0 0 29 35 1 0 0 0 0 23 36 1 0 0 0 0 35 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 32 8 1 0 0 0 0 27 32 1 0 0 0 0 26 40 1 0 0 0 0 1 41 1 0 0 0 0 15 42 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 47 1 0 0 0 0 50 53 1 0 0 0 0 43 38 1 0 0 0 0 54 55 1 0 0 0 0 16 54 1 0 0 0 0 56 57 1 0 0 0 0 51 56 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 54 55 M SBL 1 1 60 M SMT 1 ^ OCH3 M SBV 1 60 0.0115 -0.7229 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 56 57 M SBL 2 1 62 M SMT 2 ^ OCH3 M SBV 2 62 0.4666 0.7378 S SKP 5 ID FL5FADGA0025 FORMULA C38H40O19 EXACTMASS 800.216379098 AVERAGEMASS 800.7128 SMILES C(C(OC(C=Cc(c6)ccc(c(OC)6)O)=O)5)(O)C(OC(C)C5O)OCC(C(O)4)OC(C(O)C4O)OC(C2=O)=C(c(c3)cc(c(O)c3)OC)Oc(c12)cc(O)cc(O)1 M END
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