Mol:Ginsenoside M7cd
From Metabolomics.JP
ACD/Labs02100813452D 46 50 0 0 1 0 0 0 0 0 1 V2000 34.6237 -4.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7755 -4.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6237 -6.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2922 -8.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2922 -9.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2462 -9.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2003 -9.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2003 -8.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2462 -7.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1543 -9.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1084 -9.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1084 -8.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1543 -7.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0625 -7.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0625 -6.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1084 -6.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1543 -6.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9706 -7.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9706 -6.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0165 -6.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1084 -7.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2003 -7.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6954 -10.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7970 -10.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3381 -9.9405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0625 -8.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0743 -5.1116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.1683 -4.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3201 -4.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4719 -4.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0164 -4.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1542 -11.2705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8646 -4.0897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.0194 -3.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4718 -2.7596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6796 -7.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0095 -7.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6656 -6.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0057 -6.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6618 -5.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9917 -5.2201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9982 -7.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6555 -3.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6728 -6.2038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5006 -3.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9972 -8.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 4 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 8 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 17 13 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 12 21 1 1 0 0 0 8 22 1 1 0 0 0 6 23 1 6 0 0 0 6 24 1 1 0 0 0 5 25 1 1 0 0 0 14 26 1 6 0 0 0 16 15 1 0 0 0 0 14 18 1 0 0 0 0 16 27 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 28 31 1 0 0 0 0 20 31 1 1 0 0 0 10 32 1 6 0 0 0 31 33 1 1 0 0 0 31 34 1 6 0 0 0 30 35 1 4 0 0 0 1 30 1 0 0 0 0 39 36 1 0 0 0 0 37 36 1 0 0 0 0 40 39 1 0 0 0 0 38 37 1 0 0 0 0 41 40 1 0 0 0 0 41 38 1 0 0 0 0 42 39 1 0 0 0 0 43 40 1 0 0 0 0 44 36 1 0 0 0 0 43 45 1 0 0 0 0 46 37 1 0 0 0 0 33 38 1 0 0 0 0 S SKP 5 ID Ginsenoside M7cd FORMULA C36H62O10 EXACTMASS 654.434298204 AVERAGEMASS 654.87148 SMILES OC(C(C)=C)CCC(OC(C5O)OC(C(O)C5O)CO)(C)C(C4)C(C3O)C(C4)(C(C)(C2)C(C3)C(C1)(C(C2O)C(C(C1)O)(C)C)C)C M END
