Mrv1652307012121333D 99100 0 0 0 0 999 V2000 7.0681 -2.5474 1.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5969 -2.2969 1.2272 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2589 -1.3185 0.0629 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0395 -0.0774 0.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7648 -1.1601 0.0987 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1479 -0.3032 -0.9242 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6614 1.1103 -0.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6451 -0.2373 -0.8765 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2139 0.6055 -1.8766 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1513 1.3359 -2.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5901 0.9655 -3.1587 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3676 2.5870 -1.5093 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4022 3.7579 -2.1316 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0649 5.0362 -1.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1161 5.7197 -2.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5775 6.8932 -1.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9968 7.4360 -0.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0456 6.7606 0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 5.5853 -0.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1747 2.6058 -0.0878 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0737 2.6215 0.9772 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4522 2.1101 2.0487 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4026 3.0070 1.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6840 4.1410 2.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5012 2.4676 0.7725 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6542 1.4000 -0.1443 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1808 1.2806 -0.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1649 0.0480 -0.0228 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7409 0.0378 0.0059 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6762 -0.9018 0.9594 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5381 -0.6175 2.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2922 -2.1885 0.7552 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4384 -2.6733 -0.3378 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3586 -3.6509 -1.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1916 -3.4127 0.0686 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4682 -4.7655 0.4078 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0897 -5.8718 -0.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4406 -7.2176 0.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4365 -5.6849 -1.3569 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2748 -2.7596 0.9875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3604 -2.9505 2.4914 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6958 -1.9542 0.5645 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9796 -1.6109 -0.8542 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6811 -2.6682 -1.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5997 -2.4137 0.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2068 -3.5901 1.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5508 -1.8920 2.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0252 -3.2178 1.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2999 -1.7421 2.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6541 -1.7252 -0.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2018 0.6358 -0.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7055 0.3523 1.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0871 -0.4686 0.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3183 -2.1732 0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5657 -0.7020 1.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4103 -0.6085 -1.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 1.8491 -1.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3967 1.3633 -1.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0027 1.4099 0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4032 0.2668 0.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3993 2.7985 -1.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4633 3.5906 -1.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 3.7423 -3.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5948 5.3139 -3.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4088 7.4026 -2.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3575 8.3685 -0.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4801 7.2113 1.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3297 5.0487 0.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9153 2.6074 0.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6194 4.0010 2.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 4.1624 3.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6994 5.1050 1.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4440 2.9529 1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3217 1.7908 -1.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6907 0.6821 0.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5965 2.2819 -0.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2575 0.7235 -1.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3690 -0.4446 -1.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4411 -0.1676 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1562 -1.1086 3.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5751 -0.9639 2.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4428 0.4776 2.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6563 -2.9390 1.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2137 -1.9297 -1.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7659 -4.2620 -1.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0586 -3.0585 -1.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0030 -4.2151 -0.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -3.5300 -0.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5427 -7.4132 0.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8843 -7.9542 -0.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0787 -7.3291 1.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6447 -2.8259 2.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9915 -2.1605 2.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6836 -3.9675 2.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3305 -1.5107 1.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0224 -1.4121 -1.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0862 -3.0262 -2.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -3.5963 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6541 -2.4341 -2.0485 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 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 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 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 12 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 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 2 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 35 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 8 1 0 0 0 0 19 14 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 2 48 1 0 0 0 0 2 49 1 0 0 0 0 3 50 1 6 0 0 0 4 51 1 0 0 0 0 4 52 1 0 0 0 0 4 53 1 0 0 0 0 5 54 1 0 0 0 0 5 55 1 0 0 0 0 6 56 1 6 0 0 0 7 57 1 0 0 0 0 7 58 1 0 0 0 0 7 59 1 0 0 0 0 8 60 1 1 0 0 0 12 61 1 1 0 0 0 13 62 1 0 0 0 0 13 63 1 0 0 0 0 15 64 1 0 0 0 0 16 65 1 0 0 0 0 17 66 1 0 0 0 0 18 67 1 0 0 0 0 19 68 1 0 0 0 0 20 69 1 0 0 0 0 24 70 1 0 0 0 0 24 71 1 0 0 0 0 24 72 1 0 0 0 0 25 73 1 0 0 0 0 26 74 1 6 0 0 0 27 75 1 0 0 0 0 27 76 1 0 0 0 0 27 77 1 0 0 0 0 28 78 1 6 0 0 0 29 79 1 0 0 0 0 31 80 1 0 0 0 0 31 81 1 0 0 0 0 31 82 1 0 0 0 0 32 83 1 0 0 0 0 33 84 1 6 0 0 0 34 85 1 0 0 0 0 34 86 1 0 0 0 0 34 87 1 0 0 0 0 35 88 1 6 0 0 0 38 89 1 0 0 0 0 38 90 1 0 0 0 0 38 91 1 0 0 0 0 41 92 1 0 0 0 0 41 93 1 0 0 0 0 41 94 1 0 0 0 0 42 95 1 0 0 0 0 43 96 1 6 0 0 0 44 97 1 0 0 0 0 44 98 1 0 0 0 0 44 99 1 0 0 0 0 M END > NP0010619 > NP-MRD > [H]O[C@@]1([H])\C(=C([H])/[C@]([H])(C([H])([H])[H])[C@]([H])(OC(=O)C([H])([H])[H])\C(=C([H])/[C@]([H])(C([H])([H])[H])[C@]([H])(OC(=O)[C@@]([H])(N([H])C(=O)\C(=C([H])/[C@]1([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] > InChI=1S/C37H55NO6/c1-11-22(2)17-25(5)35-28(8)20-27(7)34(43-30(10)39)26(6)18-23(3)33(40)24(4)19-29(9)36(41)38-32(37(42)44-35)21-31-15-13-12-14-16-31/h12-16,18-20,22,24-26,28,32-35,40H,11,17,21H2,1-10H3,(H,38,41)/b23-18-,27-20-,29-19-/t22-,24-,25-,26-,28-,32-,33-,34-,35+/m0/s1 > WIRRTALUVUQONX-JOLBESPXSA-N > C37H55NO6 > 609.848 > 609.402938495 > 4 > 99 > 70.38495983299856 > 0 > 2 > 0 > 0 > (3S,6Z,8S,9R,10Z,12S,13S,14Z,16S,17R)-3-benzyl-9-hydroxy-6,8,10,12,14,16-hexamethyl-17-[(2S,4S)-4-methylhexan-2-yl]-2,5-dioxo-1-oxa-4-azacycloheptadeca-6,10,14-trien-13-yl acetate > 6.03 > 7.425946962666666 > -6.05 > 0 > 2 > 0 > 18.837164273496338 > 11.988111218303782 > -0.19593478141685117 > 101.93 > 177.24440000000007 > 8 > 0 > 5.41e-04 g/l > (3S,6Z,8S,9R,10Z,12S,13S,14Z,16S,17R)-3-benzyl-9-hydroxy-6,8,10,12,14,16-hexamethyl-17-[(2S,4S)-4-methylhexan-2-yl]-2,5-dioxo-1-oxa-4-azacycloheptadeca-6,10,14-trien-13-yl acetate > 0 > NP0010619 > Metacridamide A $$$$