Mol:FL5FAAGA0014
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 52 57 0 0 0 0 0 0 0 0999 V2000 -3.1821 2.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1821 1.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 0.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7799 1.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7799 2.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 2.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0787 0.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3776 1.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3776 2.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0787 2.4564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0787 0.2060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3232 2.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0378 2.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7523 2.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7523 3.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0378 3.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3232 3.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 0.0279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8829 2.4562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4668 3.6938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3428 0.8260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2507 -0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8276 -1.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6413 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4597 -1.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8829 -0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0693 -0.6019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 -0.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6657 1.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2427 0.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0563 0.8451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8749 0.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2981 1.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4843 1.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9638 1.2778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7589 1.5680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1681 2.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6314 0.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8193 0.2088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4663 -1.0034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1507 -1.5444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4611 -1.7557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5852 -2.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1621 -2.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9757 -2.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7942 -2.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2174 -2.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 -2.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1168 -2.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3656 -2.8385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4645 -3.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7942 -3.6939 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 8 21 1 0 0 0 0 22 23 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 22 1 0 0 0 0 22 28 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 29 1 0 0 0 0 29 35 1 0 0 0 0 34 36 1 0 0 0 0 33 37 1 0 0 0 0 32 38 1 0 0 0 0 26 39 1 0 0 0 0 38 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 30 21 1 0 0 0 0 43 44 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 43 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 52 1 0 0 0 0 47 41 1 0 0 0 0 S SKP 5 ID FL5FAAGA0014 FORMULA C33H40O19 EXACTMASS 740.216379098 AVERAGEMASS 740.6593 SMILES OC(C(OC(C5=O)=C(Oc(c6)c5c(O)cc6O)c(c4)ccc(O)c4)3)C(C(O)C(O3)COC(C1O)OC(C(O)C(OC(C(O)2)OC(C(O)C2O)C)1)C)O M END
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