Mrv1652304292203102D 28 29 0 0 1 0 999 V2000 2.6378 -7.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -6.6678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8995 -6.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -7.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8496 -8.1246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0251 -8.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5880 -8.7955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0283 -7.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3911 -6.2064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -5.8428 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 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 6 7 2 0 0 0 0 4 8 1 6 0 0 0 4 9 1 1 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 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 1 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 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 21 26 1 0 0 0 0 2 27 1 6 0 0 0 2 28 1 1 0 0 0 M END > NP0080110 > NP-MRD > C[C@]1(O)CC(=O)O[C@](C)(CCCCCCCCC\C=C\CC2=CC=CC=C2)C1 > InChI=1S/C25H38O3/c1-24(27)20-23(26)28-25(2,21-24)19-15-10-8-6-4-3-5-7-9-12-16-22-17-13-11-14-18-22/h9,11-14,17-18,27H,3-8,10,15-16,19-21H2,1-2H3/b12-9+/t24-,25+/m0/s1 > MPMOMJZPGJTYMV-CPBUKKLUSA-N > C25H38O3 > 386.576 > 386.282095084 > 2 > 66 > 47.90646648405084 > 0 > 1 > 0 > 0 > (4R,6R)-4-hydroxy-4,6-dimethyl-6-[(10E)-12-phenyldodec-10-en-1-yl]oxan-2-one > 7.30 > 6.452903285 > -7.16 > 0 > 2 > 0 > 14.696675153556402 > -2.931474287834428 > 46.53 > 116.42280000000002 > 12 > 0 > 2.66e-05 g/l > (4R,6R)-4-hydroxy-4,6-dimethyl-6-[(10E)-12-phenyldodec-10-en-1-yl]oxan-2-one > 0 > NP0080110 > Trisphaerolide A $$$$