Mrv1652304282212492D 36 39 0 0 1 0 999 V2000 0.8180 -1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4087 -0.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6257 0.4413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3419 0.8507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1379 0.6336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5473 -0.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3302 -0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 -1.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6104 -2.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 -2.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0393 -2.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0429 -1.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8841 -2.3688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6982 -2.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 -3.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2568 -4.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0418 -2.9918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1001 -3.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7092 1.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4032 1.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0287 1.0861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1592 1.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6382 2.1335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7551 2.5213 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5376 3.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1235 3.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5510 2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4163 -0.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 -1.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4226 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4024 -1.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6899 -2.5782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2517 -3.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9773 -2.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7295 -2.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6397 -1.2317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 6 7 1 0 0 0 0 7 8 2 0 0 0 0 1 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 7 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 9 17 1 0 0 0 0 17 18 1 0 0 0 0 5 19 1 6 0 0 0 4 20 1 6 0 0 0 3 21 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 24 27 1 1 0 0 0 2 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 1 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 30 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 29 36 1 0 0 0 0 M END > NP0066581 > NP-MRD > CC[C@H](C)C(=O)O[C@H]1[C@H](C)[C@H](C)CC2=C(C(OC)=C(OC)C(OC)=C2)C2=C1C=C1OCOC1=C2OC > InChI=1S/C28H36O8/c1-9-14(2)28(29)36-23-16(4)15(3)10-17-11-19(30-5)24(31-6)26(32-7)21(17)22-18(23)12-20-25(27(22)33-8)35-13-34-20/h11-12,14-16,23H,9-10,13H2,1-8H3/t14-,15+,16+,23-/m0/s1 > ZYMOLSKOENTNSD-SIGJXTPFSA-N > C28H36O8 > 500.588 > 500.241018119 > 7 > 72 > 53.85353685643463 > 0 > 0 > 0 > 0 > (9R,10R,11S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0^{2,7}.0^{14,18}]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl (2S)-2-methylbutanoate > 5.07 > 5.6156708453333355 > -5.26 > 1 > 4 > 0 > -4.197897042404871 > 81.68 > 133.7857 > 8 > 0 > 2.72e-03 g/l > (9R,10R,11S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0^{2,7}.0^{14,18}]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl (2S)-2-methylbutanoate > 0 > NP0066581 > (+)-Heteroclitin A $$$$