Mrv1652309062219172D 42 42 0 0 1 0 999 V2000 2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -5.3625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3730 -4.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -5.3625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -5.3625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -3.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 -2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8079 -1.3088 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 3.5724 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7158 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 1 0 0 0 5 7 1 0 0 0 0 7 8 1 6 0 0 0 7 9 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 6 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 1 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 6 0 0 0 22 24 1 0 0 0 0 24 25 1 6 0 0 0 25 26 1 6 0 0 0 25 27 1 0 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 6 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 24 40 1 0 0 0 0 40 41 1 0 0 0 0 2 41 1 0 0 0 0 41 42 2 0 0 0 0 M END > NP0234936 > NP-MRD > C[C@H](CCCC[C@H](O)CCCCC(O)=O)[C@H]1OC(=O)\C(C)=C\C[C@@H](O)[C@@H](C)[C@H](O)C[C@H](O)\C(C)=C\[C@@H](C)CCC[C@@H]1C > InChI=1S/C34H60O8/c1-22-12-11-14-24(3)33(23(2)13-7-8-15-28(35)16-9-10-17-32(39)40)42-34(41)25(4)18-19-29(36)27(6)31(38)21-30(37)26(5)20-22/h18,20,22-24,27-31,33,35-38H,7-17,19,21H2,1-6H3,(H,39,40)/b25-18+,26-20+/t22-,23+,24-,27+,28-,29+,30-,31+,33+/m0/s1 > VXRKSYNLMXQRIG-JVCQIRSBSA-N > C34H60O8 > 596.846 > 596.428818892 > 7 > 102 > 70.19870950081192 > 0 > 5 > 0 > 0 > (6S,11R)-6-hydroxy-11-[(2R,3S,7S,8E,10S,12R,13R,14R,16E)-10,12,14-trihydroxy-3,7,9,13,17-pentamethyl-18-oxo-1-oxacyclooctadeca-8,16-dien-2-yl]dodecanoic acid > 6.016798165999999 > 0 > 1 > -1 > 14.21926524098243 > 4.707712575566805 > -1.2748253155244802 > 144.52 > 167.33230000000006 > 11 > 0 > (6S,11R)-6-hydroxy-11-[(2R,3S,7S,8E,10S,12R,13R,14R,16E)-10,12,14-trihydroxy-3,7,9,13,17-pentamethyl-18-oxo-1-oxacyclooctadeca-8,16-dien-2-yl]dodecanoic acid > 0 > NP0234936 > (6s,11r)-6-hydroxy-11-[(2r,3s,7s,8e,10s,12r,13r,14r,16e)-10,12,14-trihydroxy-3,7,9,13,17-pentamethyl-18-oxo-1-oxacyclooctadeca-8,16-dien-2-yl]dodecanoic acid $$$$