Mrv1533004171518292D 45 47 0 0 0 0 999 V2000 10.4567 3.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2989 2.6495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5187 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8963 2.9228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3609 1.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5807 1.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4229 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0453 -0.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8875 -0.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1074 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9496 -1.9358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4850 -0.5845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7048 -0.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0824 -0.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3022 -0.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1444 -1.3892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6798 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1383 -0.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0575 0.5036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8376 0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6178 1.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7756 1.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5558 2.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7136 2.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1782 1.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0204 0.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9583 1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5470 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7668 -1.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1694 -2.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9582 -2.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0116 -3.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6340 -3.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4142 -3.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0366 -3.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8167 -3.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4391 -4.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2193 -3.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4609 -3.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2857 -3.0309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5540 -3.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3428 -4.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8949 -4.3072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9745 -2.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2314 -3.2821 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 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 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 2 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 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 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 17 20 1 0 0 0 0 21 20 1 4 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 6 27 1 0 0 0 0 13 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 4 0 0 0 34 35 2 0 0 0 0 35 36 1 4 0 0 0 36 37 2 0 0 0 0 37 38 1 4 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 38 43 1 0 0 0 0 36 44 1 0 0 0 0 32 45 1 0 0 0 0 M END > NP0202745 > NP-MRD > COC(=O)CC1CC=CC(=O)OC(CC(O)C2(C)OC2C=CC(C)C(O)C1)C(C)C(O)C(C)=CC=CC(C)=CC1=COC(C)=N1 > InChI=1S/C35H49NO9/c1-21(16-27-20-43-25(5)36-27)10-8-11-23(3)34(41)24(4)29-19-30(38)35(6)31(45-35)15-14-22(2)28(37)17-26(18-33(40)42-7)12-9-13-32(39)44-29/h8-11,13-16,20,22,24,26,28-31,34,37-38,41H,12,17-19H2,1-7H3 > SYVYSCPBRIHWQE-UHFFFAOYSA-N > C35H49NO9 > 627.775 > 627.340732162 > 7 > 94 > 68.02007966008307 > 1 > 3 > 0 > 0 > methyl 2-{2,12-dihydroxy-4-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetate > 4.29 > 3.5762794226666648 > -4.50 > 1 > 3 > 0 > 14.408694194115732 > 13.693252641010055 > 0.5949715397697548 > 151.85000000000002 > 173.92710000000002 > 9 > 0 > 2.00e-02 g/l > methyl 2-{2,12-dihydroxy-4-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetate > 0 > NP0202745 > methyl 2-{2,12-dihydroxy-4-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetate $$$$