Mol:FL5FAAGS0042
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 51 56 0 0 0 0 0 0 0 0999 V2000 -1.3919 1.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3919 0.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6909 0.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0101 0.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0101 1.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6909 2.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7111 0.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4121 0.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4121 1.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7111 2.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7111 -0.2474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1129 2.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8273 1.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5418 2.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5418 2.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8273 3.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1129 2.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0927 2.0024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1659 0.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6909 -0.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3406 3.2886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6526 2.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8610 1.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1122 2.5738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8610 3.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6526 3.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4015 3.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1476 4.4201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8610 4.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1328 3.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3406 2.1157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7728 -1.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5644 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3132 -0.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5644 0.0962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7728 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0239 -0.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9946 -0.3257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8743 -1.8670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3801 -2.2518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8486 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 -2.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5239 -3.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -3.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1559 -3.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5791 -2.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7655 -3.2060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2341 -3.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9834 -3.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9487 -4.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1559 -4.4201 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 15 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 27 30 1 0 0 0 0 22 31 1 0 0 0 0 23 18 1 0 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 1 0 0 0 37 32 1 1 0 0 0 37 38 1 0 0 0 0 32 39 1 0 0 0 0 33 40 1 0 0 0 0 34 41 1 0 0 0 0 36 19 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 1 0 0 0 44 45 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 42 1 0 0 0 0 42 48 1 0 0 0 0 43 49 1 0 0 0 0 44 50 1 0 0 0 0 45 51 1 0 0 0 0 46 40 1 0 0 0 0 S SKP 5 ID FL5FAAGS0042 FORMULA C33H40O18 EXACTMASS 724.2214644759999 AVERAGEMASS 724.6599 SMILES C(C5C)(OC(O6)C(O)C(O)C(O)C(C)6)C(C(O)C(O5)OC(=C(c(c4)ccc(O)c4)3)C(=O)c(c2O3)c(O)cc(c2)OC(C1O)OC(C)C(C1O)O)O M END
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