Mol:Alisol A
From Metabolomics.JP
(Difference between revisions)
(New page: ACD/Labs12010713102D 37 40 0 0 1 0 0 0 0 0 1 V2000 24.3547 -9.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3547 -10.7441 0.0000 C 0 0 0 0 0...) |
Latest revision as of 13:38, 12 December 2009
ACD/Labs12010713102D 37 40 0 0 1 0 0 0 0 0 1 V2000 24.3547 -9.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3547 -10.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2028 -8.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2028 -11.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0510 -9.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0510 -10.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6584 -9.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6584 -10.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5065 -8.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5065 -11.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8103 -7.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8103 -8.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6584 -6.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5066 -7.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1140 -7.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1140 -8.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9621 -6.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2659 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2659 -6.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1140 -4.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9622 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8992 -11.4091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3547 -8.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6584 -8.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5065 -10.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3548 -6.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8103 -10.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8104 -4.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4177 -4.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.5695 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4177 -3.4291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5329 -12.1783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.8833 -5.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3662 -6.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0786 -6.8951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1366 -12.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4793 -12.7497 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 29 30 1 0 0 0 0 29 31 1 1 0 0 0 2 32 1 6 0 0 0 30 33 1 0 0 0 0 30 34 1 0 0 0 0 30 35 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 S SKP 5 ID Alisol A FORMULA C30H50O5 EXACTMASS 490.36582470999997 AVERAGEMASS 490.71500000000003 SMILES C(CC(C(=C14)CCC1(C(C([H])2C(O)C4)(C)CCC(C(C)(C)3)([H])C(CCC3=O)2C)C)C)(C(C(C)(C)O)O)O M END
