Mol:Gomisin N
From Metabolomics.JP
ACD/Labs11200716532D 29 32 0 0 0 0 0 0 0 0 1 V2000 27.8309 -8.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7714 -8.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8309 -10.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7714 -11.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1012 -8.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1012 -11.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0417 -8.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0417 -10.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6102 -12.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1065 -6.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7715 -5.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7661 -6.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1013 -5.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6791 -8.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5273 -8.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6791 -10.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5274 -10.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3756 -8.3009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2240 -8.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2241 -10.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1066 -4.5699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.7663 -4.5700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9259 -6.9706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7765 -6.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.2705 -10.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3975 -6.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6805 -4.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0963 -4.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7716 -3.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 4 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 8 7 1 0 0 0 0 6 9 1 0 0 0 0 10 2 2 0 0 0 0 5 2 1 0 0 0 0 11 10 1 0 0 0 0 12 5 2 0 0 0 0 13 11 2 0 0 0 0 13 12 1 0 0 0 0 14 1 1 0 0 0 0 3 1 2 0 0 0 0 15 14 2 0 0 0 0 16 3 1 0 0 0 0 17 16 2 0 0 0 0 18 15 1 0 0 0 0 17 15 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 20 17 1 0 0 0 0 11 21 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 10 24 1 0 0 0 0 8 25 1 0 0 0 0 26 23 1 0 0 0 0 27 24 1 0 0 0 0 22 28 1 0 0 0 0 21 29 1 0 0 0 0 S SKP 5 ID Gomisin N FORMULA C23H28O6 EXACTMASS 400.188588628 AVERAGEMASS 400.46482000000003 SMILES COc(c4)c(OC)c(OC)c(c34)c(c(CC(C)C(C)C3)1)c(OC)c(O2)c(OC2)c1 M END