Mrv1652309122217182D 43 46 0 0 1 0 999 V2000 -1.2376 -1.9618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5077 -1.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3178 -1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6680 -1.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2081 -2.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0182 -1.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2883 -1.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0984 -1.0264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7482 -0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9381 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9676 -0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1574 -0.7145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1126 -1.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9227 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1928 -2.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0029 -2.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2730 -3.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7329 -3.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0029 -4.7682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9227 -3.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6527 -3.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3827 -0.0909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1126 0.6887 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6975 0.8446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9676 1.6241 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7777 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3178 1.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1279 1.3123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4780 2.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2966 1.9573 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8604 2.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6639 2.3725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4526 1.1472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1996 0.7971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7302 0.7485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6282 -0.0701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4275 2.2478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6975 3.0273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3827 2.0918 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9227 2.7155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6527 1.3123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4628 1.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 5 11 1 0 0 0 0 2 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 16 22 1 0 0 0 0 13 23 1 1 0 0 0 24 23 1 6 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 6 0 0 0 27 28 1 0 0 0 0 29 28 1 6 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 0 0 0 0 31 34 1 0 0 0 0 34 35 1 6 0 0 0 34 36 1 0 0 0 0 29 36 1 0 0 0 0 36 37 1 1 0 0 0 26 38 1 0 0 0 0 38 39 1 1 0 0 0 38 40 1 0 0 0 0 40 41 1 6 0 0 0 40 42 1 0 0 0 0 24 42 1 0 0 0 0 42 43 1 1 0 0 0 M END > NP0330192 > NP-MRD > OC[C@H]1O[C@H](OC[C@H]2O[C@@H](O[C@@H](CCC3=CC=C(O)C=C3)CC(=O)CCC3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O > InChI=1S/C30H40O13/c31-14-22-24(35)27(38)29(42-22)40-15-23-25(36)26(37)28(39)30(43-23)41-21(12-6-17-3-9-19(33)10-4-17)13-20(34)11-5-16-1-7-18(32)8-2-16/h1-4,7-10,21-33,35-39H,5-6,11-15H2/t21-,22+,23+,24+,25+,26-,27-,28+,29-,30+/m0/s1 > UGYZLORFQGTFRN-JQHXOKSOSA-N > C30H40O13 > 608.637 > 608.246891348 > 13 > 83 > 62.21933675363914 > 0 > 8 > 0 > 0 > (5S)-5-{[(2R,3R,4S,5S,6R)-6-({[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1,7-bis(4-hydroxyphenyl)heptan-3-one > 0.8039560480000003 > 1 > 4 > 0 > 10.351235777717324 > 9.438752861437596 > -2.981143337099244 > 215.82999999999998 > 148.38400000000004 > 14 > 0 > (5S)-5-{[(2R,3R,4S,5S,6R)-6-({[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1,7-bis(4-hydroxyphenyl)heptan-3-one > 0 > NP0330192 > (5s)-5-{[(2r,3r,4s,5s,6r)-6-({[(2s,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1,7-bis(4-hydroxyphenyl)heptan-3-one $$$$