Mol:FL5FACGS0079
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 52 57 0 0 0 0 0 0 0 0999 V2000 2.7515 3.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7515 2.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4659 2.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1803 2.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1803 3.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4659 3.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 2.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3225 2.6699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6081 2.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6081 1.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3225 1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 1.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1064 2.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 2.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 1.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1064 1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3225 0.1950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5352 2.6699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7515 1.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1064 0.1950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7722 3.8366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8089 2.3070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2446 3.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8320 2.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0336 2.7968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2401 2.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6527 3.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4511 3.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7099 3.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3340 3.5657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8089 3.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3810 2.6170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4406 2.1555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9768 -0.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3533 -1.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5933 -0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2023 -0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8259 0.5196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5857 -0.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4131 -0.5298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8041 -1.8537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8918 -1.6344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5512 -2.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1387 -3.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9321 -3.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7304 -3.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1431 -2.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3496 -2.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7478 -3.9074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 -3.6434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4634 -3.1025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0608 -2.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 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 28 1 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 18 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 38 37 1 1 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 34 40 1 0 0 0 0 35 41 1 0 0 0 0 36 42 1 0 0 0 0 37 19 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 1 0 0 0 46 45 1 1 0 0 0 47 46 1 1 0 0 0 47 48 1 0 0 0 0 48 43 1 0 0 0 0 46 49 1 0 0 0 0 45 50 1 0 0 0 0 44 51 1 0 0 0 0 43 52 1 0 0 0 0 47 42 1 0 0 0 0 S SKP 5 ID FL5FACGS0079 FORMULA C32H38O20 EXACTMASS 742.1956436559999 AVERAGEMASS 742.63212 SMILES c(c1)(C(O6)=C(C(c(c65)c(cc(c5)OC(C(O)4)OC(CO)C(O)C4O)O)=O)OC(O2)C(OC(C(O)3)OC(C)C(C3O)O)C(O)C(C2)O)cc(O)c(c1)O M END
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