Mrv1533004171521082D 29 29 0 0 0 0 999 V2000 3.9056 2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0594 3.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 3.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2128 2.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7258 1.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0590 1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5720 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9052 -0.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4182 -0.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5980 -0.8245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 -1.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2644 -2.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0846 -2.4228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5976 -3.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1106 -3.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2904 -3.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9572 -2.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 -2.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8038 -2.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9836 -1.9788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2908 -1.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9576 -0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4446 0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1114 0.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5984 1.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2651 2.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4449 2.2831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7521 2.8602 0.0000 O 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 6 5 1 4 0 0 0 6 7 2 0 0 0 0 8 7 1 4 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 16 15 1 4 0 0 0 16 17 2 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 20 22 1 0 0 0 0 23 22 1 4 0 0 0 23 24 2 0 0 0 0 25 24 1 4 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 2 29 1 0 0 0 0 M END > NP0327609 > NP-MRD > CC1CCCC=CC=CC(O)CC(O)CC=C\C=C\C(O)CC=CC=CC(=O)O1 > InChI=1S/C24H34O5/c1-20-13-7-3-2-4-8-16-22(26)19-23(27)17-11-5-9-14-21(25)15-10-6-12-18-24(28)29-20/h2,4-6,8-12,14,16,18,20-23,25-27H,3,7,13,15,17,19H2,1H3/b4-2?,10-6?,11-5?,14-9+,16-8?,18-12? > XXDIJWSZFWZBRM-CAOGAUQTSA-N > C24H34O5 > 402.531 > 402.240624195 > 4 > 63 > 45.46269722912878 > 1 > 3 > 0 > 1 > (9E)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one > 3.93 > 3.5133448379999987 > -4.43 > 0 > 1 > 0 > 15.386664363309027 > 14.629219062823093 > -1.5775923958996727 > 86.99 > 123.47909999999999 > 0 > 1 > 1.49e-02 g/l > (9E)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one > 0 > NP0327609 > (9e)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one $$$$