Mol:6''-Malonoylginsenoside Rb1
From Metabolomics.JP
ACD/Labs02130813242D 83 90 0 0 1 0 0 0 0 0 1 V2000 26.1189 -10.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1189 -11.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0729 -11.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0270 -11.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0270 -10.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0729 -9.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9810 -11.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9351 -11.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9351 -10.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9810 -9.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8892 -9.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8892 -8.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9351 -8.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9810 -8.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7973 -9.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7973 -8.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8432 -8.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9351 -9.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0270 -9.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5221 -12.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6237 -12.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1648 -11.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.8892 -10.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1859 -15.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5158 -15.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1719 -14.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5120 -14.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1681 -13.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4980 -13.2482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5045 -15.7453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1618 -11.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1791 -14.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0069 -11.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5035 -16.8815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5289 -20.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8588 -20.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5149 -19.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8550 -19.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5111 -18.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8410 -18.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8674 -21.7048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5522 -19.0554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5541 -16.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3841 -16.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8435 -20.5685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.9010 -7.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.1468 -6.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2986 -6.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.4504 -6.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6022 -6.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.4504 -8.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8431 -6.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9950 -6.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8562 -5.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8363 -8.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1663 -8.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8223 -7.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1625 -7.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8186 -5.8713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1484 -5.8610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1748 -9.4944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8596 -6.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7814 -4.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1509 -8.3581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8724 -3.4291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4553 -9.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7853 -9.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7938 -10.3437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4492 -7.6941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7813 -7.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4374 -6.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4412 -7.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7673 -6.7102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4500 -6.5268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2513 -16.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0814 -16.1839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2884 -18.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1556 -18.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1928 -20.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9857 -18.2103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 -5.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2806 -4.7285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7728 -9.2076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 9 18 1 1 0 0 0 5 19 1 1 0 0 0 3 20 1 6 0 0 0 3 21 1 1 0 0 0 2 22 1 1 0 0 0 11 23 1 6 0 0 0 27 24 1 0 0 0 0 25 24 1 0 0 0 0 28 27 1 0 0 0 0 26 25 1 0 0 0 0 29 28 1 0 0 0 0 29 26 1 0 0 0 0 30 27 1 0 0 0 0 31 28 1 0 0 0 0 32 24 1 0 0 0 0 31 33 1 0 0 0 0 34 25 1 0 0 0 0 38 35 1 0 0 0 0 36 35 1 0 0 0 0 39 38 1 0 0 0 0 37 36 1 0 0 0 0 40 39 1 0 0 0 0 40 37 1 0 0 0 0 41 36 1 0 0 0 0 42 35 1 0 0 0 0 43 39 1 0 0 0 0 44 43 1 0 0 0 0 45 38 1 0 0 0 0 34 37 1 0 0 0 0 22 26 1 0 0 0 0 13 12 1 0 0 0 0 11 15 1 0 0 0 0 13 46 1 1 0 0 0 47 48 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 48 49 2 0 0 0 0 52 53 1 0 0 0 0 52 54 1 6 0 0 0 58 55 1 0 0 0 0 56 55 1 0 0 0 0 59 58 1 0 0 0 0 57 56 1 0 0 0 0 60 59 1 0 0 0 0 60 57 1 0 0 0 0 61 56 1 0 0 0 0 62 55 1 0 0 0 0 63 59 1 0 0 0 0 64 58 1 0 0 0 0 57 65 1 0 0 0 0 52 65 1 0 0 0 0 68 67 1 0 0 0 0 69 66 1 0 0 0 0 70 66 1 0 0 0 0 67 66 1 0 0 0 0 71 70 1 0 0 0 0 72 67 1 0 0 0 0 73 71 1 0 0 0 0 73 72 1 0 0 0 0 74 72 1 0 0 0 0 63 74 1 0 0 0 0 47 53 1 0 0 0 0 17 52 1 0 0 0 0 44 75 1 0 0 0 0 75 76 2 0 0 0 0 75 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 81 71 1 0 0 0 0 82 81 1 0 0 0 0 83 70 1 0 0 0 0 S SKP 5 ID 6''-Malonoylginsenoside Rb1 FORMULA C57H94O26 EXACTMASS 1194.60333318 AVERAGEMASS 1195.34066 SMILES O(C1OC(C(C)(C)3)CCC(C84)(C)C3CCC(C(C5C(C8)O)(CCC5C(CCC=C(C)C)(C)OC(C(O)6)OC(COC(C7O)OC(CO)C(O)C7O)C(O)C6O)C)4C)C(C(O)C(C(OC(C2O)OC(C(O)C2O)COC(CC(O)=O)=O)1)O)CO M END
