Mrv1652309072217232D 32 35 0 0 1 0 999 V2000 1.1551 3.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5861 2.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3575 2.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0426 1.5814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3666 1.6771 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2688 0.7267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0505 0.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6009 0.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3314 1.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 2.4696 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0813 2.5709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6776 3.4910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3622 3.9720 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2889 4.7937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 5.2680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8908 6.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1425 6.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7122 4.9205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3873 5.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7855 4.0988 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5337 3.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1104 3.6245 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1836 2.8028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4916 1.9939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2117 2.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3148 2.1682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9830 2.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8407 3.2498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 3.8910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7297 1.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1797 0.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5751 1.1731 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 5 2 1 1 0 0 0 5 6 1 0 0 0 0 6 7 1 1 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 9 1 1 0 0 0 5 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 13 12 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 1 0 0 0 16 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 1 0 0 0 18 20 1 0 0 0 0 20 21 1 6 0 0 0 20 22 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 6 0 0 0 11 24 1 0 0 0 0 24 25 1 6 0 0 0 24 26 1 0 0 0 0 26 27 1 6 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 30 31 1 0 0 0 0 32 31 1 1 0 0 0 6 32 1 0 0 0 0 24 32 1 0 0 0 0 M END > NP0252010 > NP-MRD > CC(C)(O)[C@H]1[C@@H]2OC(=O)[C@H]1[C@H]1CC[C@H](C(O)=O)[C@@]1(C)[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O > InChI=1S/C21H32O11/c1-20(2,29)11-10-7-4-5-8(17(26)27)21(7,3)16(15(11)31-18(10)28)32-19-14(25)13(24)12(23)9(6-22)30-19/h7-16,19,22-25,29H,4-6H2,1-3H3,(H,26,27)/t7-,8-,9+,10+,11-,12-,13+,14+,15+,16+,19+,21+/m1/s1 > VGJYMRIOASNQIL-DIAREOQXSA-N > C21H32O11 > 460.476 > 460.19446185 > 10 > 64 > 44.89358644408086 > 1 > 6 > 0 > 0 > (1S,2R,5S,6S,7R,8S,11R)-11-(2-hydroxypropan-2-yl)-6-methyl-10-oxo-7-{[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9-oxatricyclo[6.2.1.0^{2,6}]undecane-5-carboxylic acid > -1.7772474736666668 > 0 > 4 > -1 > 12.209630532764649 > 3.9692539428174927 > -2.82020371058781 > 183.21 > 103.6135 > 5 > 0 > (1S,2R,5S,6S,7R,8S,11R)-11-(2-hydroxypropan-2-yl)-6-methyl-10-oxo-7-{[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9-oxatricyclo[6.2.1.0^{2,6}]undecane-5-carboxylic acid > 0 > NP0252010 > (1s,2r,5s,6s,7r,8s,11r)-11-(2-hydroxypropan-2-yl)-6-methyl-10-oxo-7-{[(2r,3s,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9-oxatricyclo[6.2.1.0²,⁶]undecane-5-carboxylic acid $$$$