Mol:FL5FACGL0024
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 53 58 0 0 0 0 0 0 0 0999 V2000 -3.1275 1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1275 0.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4263 0.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7251 0.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7251 1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4263 1.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0239 0.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3226 0.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3226 1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0239 1.8878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0239 -0.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3783 1.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 1.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8076 1.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8076 2.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 3.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3783 2.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8285 1.8877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4644 0.1818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4263 -0.5409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0029 -1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5797 -1.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3935 -1.7212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2122 -1.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6355 -1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8216 -1.4534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2169 -1.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5535 0.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1303 0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9441 0.2512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7628 0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1861 0.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3722 0.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8103 0.6221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8724 1.0787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8285 0.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4575 0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5437 -0.5104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0521 -1.8124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0046 -2.3947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2122 -2.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6068 3.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 3.9505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4562 -2.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8793 -3.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0655 -3.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 -3.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1763 -2.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 -2.7360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2421 -2.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4071 -3.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4544 -3.6774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 -3.9505 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 16 43 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 1 0 0 0 46 47 1 1 0 0 0 48 47 1 1 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 53 1 0 0 0 0 48 39 1 0 0 0 0 S SKP 5 ID FL5FACGL0024 FORMULA C33H40O20 EXACTMASS 756.21129372 AVERAGEMASS 756.6587 SMILES c(c51)(OC(c(c6)ccc(O)c6O)=C(C5=O)OC(C(O)4)OC(C(O)C4O)COC(O2)C(O)C(C(OC(O3)C(C(C(C(C)3)O)O)O)C2C)O)cc(cc1O)O M END
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