Mol:Gomisin A
From Metabolomics.JP
ACD/Labs11200716593D 30 33 0 0 0 0 0 0 0 0 1 V2000 27.8629 -8.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8034 -8.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8629 -10.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8034 -11.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1332 -8.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1332 -11.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0737 -8.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0737 -10.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9339 -11.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4890 -9.7866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.6422 -12.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1385 -6.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8035 -5.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7981 -6.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1333 -5.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7111 -8.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5593 -8.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7111 -10.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5594 -10.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1386 -4.5699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.7983 -4.5700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9579 -6.9706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8085 -6.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4295 -6.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8037 -3.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1283 -4.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7225 -4.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4076 -8.3009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2559 -8.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2561 -10.2959 0.0000 O 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 8 9 1 0 0 0 0 8 10 1 0 0 0 0 6 11 1 0 0 0 0 12 2 2 0 0 0 0 5 2 1 0 0 0 0 13 12 1 0 0 0 0 14 5 2 0 0 0 0 15 13 2 0 0 0 0 15 14 1 0 0 0 0 16 1 1 0 0 0 0 3 1 2 0 0 0 0 17 16 2 0 0 0 0 18 3 1 0 0 0 0 19 18 2 0 0 0 0 13 20 1 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 12 23 1 0 0 0 0 24 22 1 0 0 0 0 20 25 1 0 0 0 0 21 26 1 0 0 0 0 23 27 1 0 0 0 0 28 17 1 0 0 0 0 19 17 1 0 0 0 0 29 28 1 0 0 0 0 30 29 1 0 0 0 0 30 19 1 0 0 0 0 S SKP 5 ID Gomisin A FORMULA C23H28O7 EXACTMASS 416.18350325 AVERAGEMASS 416.46422000000007 SMILES COc(c4)c(OC)c(OC)c(c43)c(c(CC(C)C(C)(O)C3)1)c(OC)c(O2)c(OC2)c1 M END