Mol:Ginsenoside Ra2
From Metabolomics.JP
ACD/Labs02130814072D 84 92 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 19.4523 -8.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7823 -8.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7908 -9.3662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4462 -6.7166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0315 -6.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1013 -5.9948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1834 -6.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7992 -10.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8132 -11.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1432 -11.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1394 -10.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7955 -9.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1253 -9.5497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1517 -13.1831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8365 -10.5337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1278 -12.0468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0335 -8.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2016 -5.4381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8827 -8.7818 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 47 53 1 0 0 0 0 17 52 1 1 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 1 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 72 71 1 0 0 0 0 76 74 1 0 0 0 0 75 74 1 0 0 0 0 77 76 1 0 0 0 0 73 75 1 0 0 0 0 78 77 1 0 0 0 0 78 73 1 0 0 0 0 79 75 1 0 0 0 0 80 74 1 0 0 0 0 81 76 1 0 0 0 0 68 73 1 0 0 0 0 82 70 1 0 0 0 0 83 72 1 0 0 0 0 63 83 1 0 0 0 0 82 84 1 0 0 0 0 S SKP 5 ID Ginsenoside Ra2 FORMULA C58H98O26 EXACTMASS 1210.634633308 AVERAGEMASS 1211.38312 SMILES OC(C1OC(C2OC(C9)C(C)(C)C(C8)C(C9)(C)C(C(C)7C8)CC(O)C(C(C)73)C(C(CCC=C(C)C)(C)OC(C(O)4)OC(COC(O5)C(OC(O6)C(C(C(O)C6)O)O)C(C5CO)O)C(C4O)O)CC3)C(O)C(C(O2)CO)O)C(C(O)C(CO)O1)O M END
