Mol:FL5F1CGS0005
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 34 38 0 0 0 0 0 0 0 0999 V2000 -0.1256 -1.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5522 -1.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5522 -0.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1256 0.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8034 -0.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8034 -1.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 -1.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9078 -1.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9078 -0.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 0.1046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5618 0.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2425 -0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9232 0.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9232 0.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2425 1.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5618 0.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 -2.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5254 -1.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2901 -1.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3455 0.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5073 1.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1876 2.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4059 2.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0407 0.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6282 -0.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8301 -0.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0369 -0.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4493 0.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2475 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3702 0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7761 0.8664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5073 -0.0657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1064 -0.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1717 -0.6960 0.0000 O 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 2 0 0 0 0 9 10 1 0 0 0 0 10 3 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 7 17 2 0 0 0 0 8 18 1 0 0 0 0 18 19 1 0 0 0 0 5 20 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 15 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 20 27 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 S SKP 8 ID FL5F1CGS0005 KNApSAcK_ID C00011170 NAME Pongamoside D CAS_RN 713524-66-4 FORMULA C23H22O11 EXACTMASS 474.116211546 AVERAGEMASS 474.41418000000004 SMILES c(c31)(OC(c(c5)cc(O4)c(c5)OC4)=C(C3=O)OC)cc(OC(C(O)2)OC(CO)C(O)C2O)cc1 M END
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