Mrv1652306242117193D 69 71 0 0 0 0 999 V2000 9.0546 0.5023 -1.3247 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4236 -0.8874 -1.1756 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0459 -0.6913 -1.0365 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1222 -1.7181 -0.8761 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5174 -2.9055 -0.8514 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6620 -1.4341 -0.7314 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3217 -1.5799 0.7348 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8312 -1.2932 0.9327 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3939 -0.0839 0.5766 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9311 0.9709 0.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8294 2.0369 -0.3044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4944 1.3243 0.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3542 0.4667 0.9706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1166 -0.8039 1.3465 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8025 0.6936 1.2015 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0133 0.5983 2.6862 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5428 -0.3818 0.4532 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 -1.7125 0.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3961 -2.3014 1.8395 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5501 -2.4698 -0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8622 -3.9136 0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0291 -1.9255 -1.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 -2.7638 -2.2528 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7443 -0.6073 -1.6525 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1913 0.0380 -2.8595 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8569 1.4898 -3.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8485 -0.4894 -3.7768 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0120 0.1516 -0.7302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6033 1.5018 -0.7553 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3446 1.9116 0.5807 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4856 2.3814 1.2036 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5293 1.5065 1.2985 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6544 2.2602 2.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3834 3.0656 0.4836 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0229 2.6246 0.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6831 3.3809 -0.6003 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4055 1.1118 -1.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0659 0.4335 -1.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0941 0.9865 -0.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6876 -1.4268 -2.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8867 -1.4416 -0.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0811 -2.2314 -1.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4539 -0.4428 -1.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4740 -2.6499 0.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9574 -0.9906 1.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3156 -2.2009 0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6854 -1.4585 2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7233 2.9177 0.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8930 1.7351 -0.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5735 2.2827 -1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1814 -0.9700 2.3462 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0313 0.6009 3.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5077 -0.3254 3.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5056 1.5330 3.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5798 -3.2526 2.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7108 -4.2343 -0.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1862 -4.0750 1.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9917 -4.5511 -0.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1254 -2.5146 -3.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2827 1.8806 -4.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2802 2.1180 -2.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7548 1.5925 -3.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3611 0.5980 1.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9774 1.2394 0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3093 2.5602 3.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8677 3.1989 1.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5608 1.6471 2.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7964 3.8301 -0.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2728 3.5568 1.4728 H 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 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 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 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 22 23 1 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 25 27 2 0 0 0 0 24 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 1 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 2 0 0 0 0 35 12 1 0 0 0 0 30 15 1 0 0 0 0 28 17 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 40 1 0 0 0 0 2 41 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 44 1 0 0 0 0 7 45 1 0 0 0 0 8 46 1 0 0 0 0 8 47 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 14 51 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 19 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 23 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 M END > NP0015400 > NP-MRD > [H]OC1=C2C(O[C@]3(OC([H])([H])C([H])([H])[H])C([H])([H])C(=O)C(\C(=N/C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])([H])C([H])([H])[H])C([H])([H])[H])=C(O[H])[C@]23C([H])([H])[H])=C(C(=O)C([H])([H])[H])C(O[H])=C1C([H])([H])[H] > InChI=1S/C26H33NO9/c1-7-34-17(30)10-9-11-27-14(4)18-16(29)12-26(35-8-2)25(6,24(18)33)20-22(32)13(3)21(31)19(15(5)28)23(20)36-26/h31-33H,7-12H2,1-6H3/b27-14-/t25-,26+/m0/s1 > TXCOOEZSXVVCSB-IZZNHLLZSA-N > C26H33NO9 > 503.548 > 503.215531647 > 9 > 69 > 52.97137171027714 > 1 > 3 > 0 > 0 > ethyl 4-[(Z)-{1-[(2S,7R)-10-acetyl-7-ethoxy-3,11,13-trihydroxy-2,12-dimethyl-5-oxo-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),3,9,11-tetraen-4-yl]ethylidene}amino]butanoate > 2.87 > 0.7609740672983089 > -3.99 > 1 > 3 > 0 > 7.992763883073705 > -1.3500898220025244 > 9.509476638380397 > 151.95000000000002 > 131.92389999999997 > 10 > 0 > 5.12e-02 g/l > ethyl 4-[(Z)-{1-[(2S,7R)-10-acetyl-7-ethoxy-3,11,13-trihydroxy-2,12-dimethyl-5-oxo-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),3,9,11-tetraen-4-yl]ethylidene}amino]butanoate > 0 > NP0015400 > Usenamine F $$$$