Mrv1652304282218462D 46 50 0 0 1 0 999 V2000 6.1708 -0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4511 0.5577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9193 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1072 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5754 1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7633 1.5287 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4830 0.7528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0148 0.1221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8269 0.2673 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3587 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7345 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9224 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3905 -0.1684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6708 0.6076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0195 1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3367 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -0.1416 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0596 -0.7929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3705 -1.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2424 -0.6800 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2640 -1.3314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0469 -2.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4594 -2.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2767 -2.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1486 -3.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0812 -1.2185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3921 -0.4543 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8858 0.1970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1967 0.9612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0139 1.0740 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5203 0.4227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2094 -0.3415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7157 -0.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3375 0.5355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3248 1.8382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6903 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0012 2.3767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0685 0.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8685 1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0307 -0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5466 -0.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2314 2.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4193 2.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5311 1.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8025 2.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2632 0.7029 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 2 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 1 0 0 0 9 10 1 0 0 0 0 1 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 7 14 1 6 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 13 17 1 0 0 0 0 17 18 1 1 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 21 26 1 6 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 27 32 1 0 0 0 0 32 33 1 6 0 0 0 31 34 1 1 0 0 0 30 35 1 6 0 0 0 29 36 1 1 0 0 0 36 37 1 0 0 0 0 20 38 1 6 0 0 0 14 39 1 6 0 0 0 13 40 1 1 0 0 0 8 41 1 1 0 0 0 6 42 1 6 0 0 0 42 43 1 0 0 0 0 3 44 1 0 0 0 0 3 45 1 0 0 0 0 2 46 1 1 0 0 0 M END > NP0071397 > NP-MRD > CO[C@@H]1C=C2[C@@H](CC[C@H](O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@H](CC[C@@]3(C)[C@H]12)[C@H](C)[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C(C)C > InChI=1S/C37H62O9/c1-19(2)16-24(45-33-31(43)30(42)29(41)26(18-38)46-33)28(40)20(3)21-12-13-37(8)32-25(44-9)17-23-22(10-11-27(39)34(23,4)5)35(32,6)14-15-36(21,37)7/h16-17,20-22,24-33,38-43H,10-15,18H2,1-9H3/t20-,21+,22+,24-,25+,26+,27-,28+,29+,30-,31+,32+,33+,35-,36+,37-/m0/s1 > FHEJVLFYFWDFDA-GDESBMSKSA-N > C37H62O9 > 650.894 > 650.439383576 > 9 > 108 > 74.03008407559619 > 0 > 6 > 0 > 0 > (2R,3R,4S,5S,6R)-2-{[(4S,5R,6S)-5-hydroxy-6-[(1S,2S,5S,9R,10R,11S,14R,15R)-5-hydroxy-9-methoxy-1,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-14-yl]-2-methylhept-2-en-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 3.36 > 3.2420029226666656 > -4.57 > 1 > 5 > 0 > 13.127658837828552 > 12.200923918791462 > -0.8702022293305628 > 149.07 > 176.21430000000007 > 8 > 0 > 1.73e-02 g/l > (2R,3R,4S,5S,6R)-2-{[(4S,5R,6S)-5-hydroxy-6-[(1S,2S,5S,9R,10R,11S,14R,15R)-5-hydroxy-9-methoxy-1,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-14-yl]-2-methylhept-2-en-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > NP0071397 > (+)-Karaviloside IV $$$$