Mrv1652309122217422D 45 51 0 0 1 0 999 V2000 -3.5594 3.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0707 3.7073 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2507 3.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 4.2811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9421 4.1903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6107 3.4347 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2092 3.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5405 2.5883 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3605 2.4974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6918 1.7419 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5118 1.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8431 0.8955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6631 0.8046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2793 1.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9914 0.9367 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8124 1.0183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1437 0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9497 0.0867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5275 -0.2858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6091 -1.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8154 0.1307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9944 0.0491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4029 -0.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5057 -0.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6857 -0.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3544 0.2308 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5345 0.3216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8658 -0.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0458 -0.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2258 -0.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1055 0.5034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9255 0.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3832 1.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2031 1.0772 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0519 1.9236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7681 2.0145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2568 1.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0994 2.7700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9194 2.8609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0933 5.0367 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6047 5.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9133 5.1275 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2446 5.8831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 4.4628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2220 4.5537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 6 0 0 0 6 5 1 6 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 6 0 0 0 10 9 1 1 0 0 0 10 11 1 0 0 0 0 12 11 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 6 0 0 0 14 15 1 0 0 0 0 15 16 1 6 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 1 0 0 0 21 19 1 6 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 6 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 26 25 1 6 0 0 0 12 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 6 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 6 0 0 0 31 33 1 0 0 0 0 34 33 1 6 0 0 0 10 34 1 0 0 0 0 27 34 1 0 0 0 0 8 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 6 0 0 0 36 38 1 0 0 0 0 6 38 1 0 0 0 0 38 39 1 1 0 0 0 4 40 1 0 0 0 0 40 41 1 1 0 0 0 40 42 1 0 0 0 0 42 43 1 1 0 0 0 42 44 1 0 0 0 0 2 44 1 0 0 0 0 44 45 1 6 0 0 0 M END > NP0330396 > NP-MRD > C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C[C@H](O[C@H]5C[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@@H](C)O5)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)OC1=O > InChI=1S/C34H54O11/c1-14-26-23(44-31(14)40)12-20-18-11-22(21-10-17(35)6-8-33(21,4)19(18)7-9-34(20,26)5)43-25-13-24(27(36)15(2)41-25)45-32-30(39)29(38)28(37)16(3)42-32/h14-30,32,35-39H,6-13H2,1-5H3/t14-,15+,16-,17-,18+,19-,20-,21+,22-,23-,24+,25-,26-,27+,28-,29+,30+,32-,33+,34-/m0/s1 > ARZULQNIXPZXSN-ZVOKZGNKSA-N > C34H54O11 > 638.795 > 638.366612559 > 10 > 99 > 70.54374798554213 > 1 > 5 > 0 > 0 > (1R,2S,4S,7S,8R,9S,12S,13R,16S,18S,19S)-16-hydroxy-19-{[(2R,4R,5R,6R)-5-hydroxy-6-methyl-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan-6-one > 1.8886284083333327 > 0 > 7 > 0 > 12.979213446087428 > 12.181010257374902 > -2.6909907009396656 > 164.37 > 158.42650000000003 > 4 > 0 > (1R,2S,4S,7S,8R,9S,12S,13R,16S,18S,19S)-16-hydroxy-19-{[(2R,4R,5R,6R)-5-hydroxy-6-methyl-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan-6-one > 0 > NP0330396 > (1r,2s,4s,7s,8r,9s,12s,13r,16s,18s,19s)-16-hydroxy-19-{[(2r,4r,5r,6r)-5-hydroxy-6-methyl-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-one $$$$