Mol:Alisol B
From Metabolomics.JP
ACD/Labs12010713132D 37 41 0 0 1 0 0 0 0 0 1 V2000 24.2425 -9.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2425 -10.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0906 -8.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0906 -11.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9388 -9.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9388 -10.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5462 -9.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5462 -10.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3943 -8.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3943 -11.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6981 -7.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6981 -8.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5462 -6.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3944 -7.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0018 -7.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0018 -8.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8499 -6.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1537 -5.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1537 -6.5619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.0018 -4.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8500 -5.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7870 -11.2169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2425 -7.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5462 -7.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3943 -9.8869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2426 -6.5619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6981 -9.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6982 -4.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3055 -4.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3439 -12.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2158 -12.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4207 -11.9861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.6355 -4.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9705 -3.4151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.3651 -3.6264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.7873 -5.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.5760 -3.6265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 1 0 0 0 0 8 7 1 0 0 0 0 10 8 1 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 2 1 1 0 0 0 0 13 11 1 0 0 0 0 7 12 1 0 0 0 0 14 13 1 0 0 0 0 9 7 1 0 0 0 0 9 14 1 0 0 0 0 16 15 1 0 0 0 0 11 17 2 0 0 0 0 12 11 1 0 0 0 0 18 19 1 1 0 0 0 20 18 1 0 0 0 0 21 20 1 0 0 0 0 17 15 1 0 0 0 0 17 21 1 6 0 0 0 6 22 2 0 0 0 0 1 23 1 1 0 0 0 7 24 1 6 0 0 0 9 25 1 1 0 0 0 14 26 1 1 0 0 0 12 16 1 0 0 0 0 12 27 1 1 0 0 0 21 28 1 0 0 0 0 18 29 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 2 32 1 6 0 0 0 33 34 1 0 0 0 0 34 29 1 0 0 0 0 29 33 1 0 0 0 0 29 35 1 6 0 0 0 33 36 1 0 0 0 0 33 37 1 0 0 0 0 S SKP 5 ID Alisol B FORMULA C30H48O4 EXACTMASS 472.35526002399996 AVERAGEMASS 472.69972 SMILES CC(C3=4)(CCC4C(C)CC(C([H])(C5(C)C)O5)O)C(C)(C(C(O)C3)([H])1)CCC(C(C)(C)2)([H])C(CCC2=O)1C M END
