Mrv1652309122212112D 36 37 0 0 0 0 999 V2000 -3.2704 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9849 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9849 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2704 -0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6993 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4138 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6993 -0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1118 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8263 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8263 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6513 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8263 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5408 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5408 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2552 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9697 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2552 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5408 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8263 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8263 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1118 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1118 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3974 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8263 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8263 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5408 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0105 -9.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0711 -9.7070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2552 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9697 -9.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2552 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9697 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9697 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6842 -6.1875 0.0000 C 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 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 2 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 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 19 35 1 0 0 0 0 35 36 1 0 0 0 0 M END > NP0327525 > NP-MRD > CCC(O)C(C)C1OC1CC(C)(O)\C=C\C=C(/C)C1OC(=O)CC(O)CCC(C)(O)C(O)\C=C\C1C > InChI=1S/C28H46O8/c1-7-21(30)19(4)26-22(35-26)16-27(5,33)13-8-9-17(2)25-18(3)10-11-23(31)28(6,34)14-12-20(29)15-24(32)36-25/h8-11,13,18-23,25-26,29-31,33-34H,7,12,14-16H2,1-6H3/b11-10+,13-8+,17-9+ > UVGNDKLNNFHGQG-BVPMUASMSA-N > C28H46O8 > 510.668 > 510.319268441 > 7 > 82 > 57.344597811307665 > 1 > 5 > 0 > 0 > (9E)-4,7,8-trihydroxy-12-[(2E,4E)-6-hydroxy-6-{[3-(3-hydroxypentan-2-yl)oxiran-2-yl]methyl}hepta-2,4-dien-2-yl]-7,11-dimethyl-1-oxacyclododec-9-en-2-one > 1.765707605666667 > 0 > 2 > 0 > 14.267424755913282 > 13.421242748537694 > -2.801081156274676 > 139.98 > 140.12130000000002 > 8 > 0 > (9E)-4,7,8-trihydroxy-12-[(2E,4E)-6-hydroxy-6-{[3-(3-hydroxypentan-2-yl)oxiran-2-yl]methyl}hepta-2,4-dien-2-yl]-7,11-dimethyl-1-oxacyclododec-9-en-2-one > 0 > NP0327525 > (9e)-4,7,8-trihydroxy-12-[(2e,4e)-6-hydroxy-7-[3-(3-hydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-7,11-dimethyl-1-oxacyclododec-9-en-2-one $$$$