Mol:Ginsenoside-F4
From Metabolomics.JP
(Difference between revisions)
(New page: ACD/Labs02100814002D 54 59 0 0 1 0 0 0 0 0 1 V2000 22.9295 -19.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2594 -19.9582 0.0000 C 0 0 0 0 0...) |
Latest revision as of 12:39, 16 February 2010
ACD/Labs02100814002D 54 59 0 0 1 0 0 0 0 0 1 V2000 22.9295 -19.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2594 -19.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9155 -18.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2556 -18.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9117 -17.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2416 -17.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2471 -21.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9338 -21.2985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2618 -17.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9542 -18.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5979 -4.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7497 -4.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9015 -4.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0533 -4.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2051 -4.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0533 -6.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4460 -4.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7218 -8.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7218 -9.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6758 -9.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6299 -9.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6299 -8.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6758 -7.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5839 -9.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5380 -9.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5380 -8.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5839 -7.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4921 -7.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4921 -6.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5380 -6.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5839 -6.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4002 -7.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4002 -6.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4461 -6.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5380 -7.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6299 -7.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1250 -10.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2266 -10.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7677 -9.9405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4921 -8.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5039 -5.1116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5838 -11.2705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5544 -16.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8843 -16.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5404 -14.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8805 -14.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5366 -13.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8665 -13.7930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8730 -16.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5303 -12.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5476 -14.7767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3754 -11.8137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8720 -17.4263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2942 -4.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 2 1 1 0 0 0 0 5 4 1 0 0 0 0 3 2 1 0 0 0 0 6 5 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 12 1 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 14 16 1 0 0 0 0 11 17 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 18 1 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 31 27 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 29 1 0 0 0 0 26 35 1 1 0 0 0 22 36 1 1 0 0 0 20 37 1 6 0 0 0 20 38 1 1 0 0 0 19 39 1 1 0 0 0 28 40 1 6 0 0 0 30 29 1 0 0 0 0 28 32 1 0 0 0 0 30 41 1 1 0 0 0 24 42 1 6 0 0 0 46 43 1 0 0 0 0 44 43 1 0 0 0 0 47 46 1 0 0 0 0 45 44 1 0 0 0 0 48 47 1 0 0 0 0 48 45 1 0 0 0 0 49 46 1 0 0 0 0 50 47 1 0 0 0 0 51 43 1 0 0 0 0 50 52 1 0 0 0 0 53 44 1 0 0 0 0 42 45 1 0 0 0 0 17 34 1 0 0 0 0 17 54 1 0 0 0 0 3 53 1 0 0 0 0 S SKP 5 ID Ginsenoside-F4 FORMULA C42H70O12 EXACTMASS 766.486727704 AVERAGEMASS 766.9979999999999 SMILES C(C1O)(C(OC(OC(C2OC(C34)CC(C)(C56C)C(CC(O)C5C(C(C)=CCC=C(C)C)CC6)C(C)(CCC(O)C(C)(C)4)3)C(O)C(C(CO)O2)O)C1O)C)O M END