Mrv1652304292201242D 36 41 0 0 1 0 999 V2000 0.1827 -0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3492 -0.8489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 0.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4342 1.1884 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2463 1.0432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5266 0.2673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9948 -0.3634 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8069 -0.5086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3387 0.1221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8705 0.7528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5902 1.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7781 1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6826 0.6076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9629 -0.1684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4311 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7114 -1.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 -0.6539 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0872 -1.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0168 0.6509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9089 -0.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5484 -0.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4850 1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0798 1.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8723 1.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0700 0.9499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4671 2.3226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2695 3.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -0.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 1.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1539 1.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6169 2.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 3.2985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6654 3.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6386 2.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 1 7 1 0 0 0 0 7 8 1 6 0 0 0 6 8 1 6 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 6 0 0 0 11 12 1 0 0 0 0 5 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 9 17 1 0 0 0 0 17 18 1 6 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 13 21 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 13 24 1 1 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 9 30 1 6 0 0 0 5 31 1 1 0 0 0 4 32 1 1 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 32 36 1 0 0 0 0 M END > NP0078315 > NP-MRD > COC(=O)\C=C/[C@@]12COC(C)(C)[C@@H]1C(=O)[C@H](O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](OC(=O)[C@H]3O[C@@]123)C1=COC=C1 > InChI=1S/C27H32O9/c1-23(2)18-17(29)19(30)25(4)15(26(18,13-34-23)10-7-16(28)32-5)6-9-24(3)20(14-8-11-33-12-14)35-22(31)21-27(24,25)36-21/h7-8,10-12,15,18-21,30H,6,9,13H2,1-5H3/b10-7-/t15-,18-,19-,20-,21+,24-,25-,26-,27+/m0/s1 > KJSXPAGGMDDLNZ-LFRPKVCLSA-N > C27H32O9 > 500.544 > 500.20463261 > 6 > 68 > 50.531949999466676 > 1 > 1 > 0 > 0 > methyl (2Z)-3-[(1S,2R,4S,7R,8S,11R,12S,16R,18R)-7-(furan-3-yl)-18-hydroxy-1,8,15,15-tetramethyl-5,17-dioxo-3,6,14-trioxapentacyclo[9.7.0.0^{2,4}.0^{2,8}.0^{12,16}]octadecan-12-yl]prop-2-enoate > 2.98 > 2.3515025896666666 > -3.96 > 0 > 6 > 0 > 16.7703085716391 > 12.857291584096213 > -2.8514897646112702 > 124.80000000000001 > 123.9476 > 4 > 0 > 5.46e-02 g/l > methyl (2Z)-3-[(1S,2R,4S,7R,8S,11R,12S,16R,18R)-7-(furan-3-yl)-18-hydroxy-1,8,15,15-tetramethyl-5,17-dioxo-3,6,14-trioxapentacyclo[9.7.0.0^{2,4}.0^{2,8}.0^{12,16}]octadecan-12-yl]prop-2-enoate > 0 > NP0078315 > (+)-Atalantin $$$$