Mrv0541 05061308162D 66 72 0 0 0 0 999 V2000 1.3705 2.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6353 -1.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6328 -0.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1108 3.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1919 4.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5466 1.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0307 1.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8685 -0.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5754 -0.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3587 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7633 -0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3367 0.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0195 -0.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7345 1.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9224 1.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4572 5.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2951 1.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7663 2.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0596 1.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 0.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1072 -0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8269 0.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8269 2.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9254 5.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0466 2.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4511 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2424 1.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5466 2.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1133 5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5815 4.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1390 1.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 2.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7345 3.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8618 4.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6072 0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8587 2.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0469 2.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6739 3.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2026 2.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7951 0.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9193 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4594 3.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0148 0.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3905 0.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6708 0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1769 6.6697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6390 2.0640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0685 0.7409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0784 3.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8330 6.1842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7693 4.9228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9511 1.0931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0812 2.0435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4542 3.9063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3299 3.3710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8875 -0.1684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8642 3.0334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9658 4.2232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4829 1.7238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 3.0805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2057 4.4872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5148 1.5287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2632 0.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3905 2.6449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 14 13 1 0 0 0 0 16 15 1 0 0 0 0 20 1 1 0 0 0 0 21 13 1 0 0 0 0 21 20 1 0 0 0 0 22 9 2 0 0 0 0 23 10 1 0 0 0 0 23 22 1 0 0 0 0 24 18 1 0 0 0 0 25 17 1 0 0 0 0 26 19 1 0 0 0 0 27 11 1 0 0 0 0 28 12 1 0 0 0 0 29 20 1 0 0 0 0 30 24 1 0 0 0 0 31 25 1 0 0 0 0 32 31 1 0 0 0 0 34 29 1 0 0 0 0 35 30 1 0 0 0 0 36 32 1 0 0 0 0 37 33 1 0 0 0 0 38 26 1 0 0 0 0 38 33 1 0 0 0 0 39 34 1 0 0 0 0 40 36 1 0 0 0 0 41 35 1 0 0 0 0 42 37 1 0 0 0 0 43 2 1 0 0 0 0 43 3 1 0 0 0 0 43 22 1 0 0 0 0 43 28 1 0 0 0 0 44 4 1 0 0 0 0 44 5 1 0 0 0 0 44 39 1 0 0 0 0 45 6 1 0 0 0 0 45 15 1 0 0 0 0 45 23 1 0 0 0 0 45 27 1 0 0 0 0 46 7 1 0 0 0 0 46 16 1 0 0 0 0 46 21 1 0 0 0 0 47 8 1 0 0 0 0 47 14 1 0 0 0 0 47 27 1 0 0 0 0 47 46 1 0 0 0 0 48 17 1 0 0 0 0 49 24 1 0 0 0 0 50 29 1 0 0 0 0 51 30 1 0 0 0 0 52 31 1 0 0 0 0 53 32 1 0 0 0 0 54 33 1 0 0 0 0 55 34 1 0 0 0 0 56 35 1 0 0 0 0 57 36 1 0 0 0 0 58 37 1 0 0 0 0 59 39 1 0 0 0 0 60 44 1 0 0 0 0 61 18 1 0 0 0 0 61 41 1 0 0 0 0 62 19 1 0 0 0 0 62 40 1 0 0 0 0 63 25 1 0 0 0 0 63 40 1 0 0 0 0 64 26 1 0 0 0 0 64 42 1 0 0 0 0 65 28 1 0 0 0 0 65 42 1 0 0 0 0 66 38 1 0 0 0 0 66 41 1 0 0 0 0 M END > CHEM029103 > chemdb > CC(C(O)C(O)C(O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(OC6OCC(O)C(O)C6O)C(O)C5O)C4(C)C)C3(C)CCC12C > InChI=1S/C47H80O19/c1-20(29(50)34(55)39(59)44(4,5)60)21-13-14-47(8)27-11-9-22-23(45(27,6)15-16-46(21,47)7)10-12-28(43(22,2)3)65-42-37(58)33(54)38(66-41-35(56)30(51)24(49)18-61-41)26(64-42)19-62-40-36(57)32(53)31(52)25(17-48)63-40/h9,20-21,23-42,48-60H,10-19H2,1-8H3 > MOWDSRSBTXORLO-UHFFFAOYSA-N > C47H80O19 > 949.1267 > 948.529380378 > 19 > 101.62418091859095 > 0 > 13 > 0 > 0 > 6-(5-{[3,4-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-1,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl)-2-methylheptane-2,3,4,5-tetrol > 0.68 > -1.144133944 > -3.18 > 1 > 7 > 0 > 12.191683348129184 > 11.754097364860897 > -3.6483773177512626 > 318.37000000000006 > 231.08230000000006 > 13 > 0 > 6.21e-01 g/l > 6-(5-{[3,4-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-1,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl)-2-methylheptane-2,3,4,5-tetrol > 0 > Momordicoside B > 75799-04-1 $$$$