Mrv1652304282217042D 85 88 0 0 1 0 999 V2000 -3.3512 -6.4036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5975 -6.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6837 -7.5596 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4907 -7.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9032 -7.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8263 -8.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6468 -8.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9823 -9.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8028 -9.4109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1384 -10.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9588 -10.2509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.4438 -9.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1082 -8.8297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2877 -8.7435 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9522 -7.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5931 -8.1623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2576 -7.4086 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.7425 -6.7412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4069 -5.9875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5864 -5.9013 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1015 -6.5687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4371 -7.3224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2810 -6.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2509 -5.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4304 -5.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8919 -5.3201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5563 -4.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5630 -6.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0479 -6.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5463 -10.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0984 -11.5784 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.8520 -11.2429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7658 -10.4224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5665 -11.6554 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.5665 -12.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2810 -12.8929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.2810 -13.7179 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.9955 -14.1304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.9955 -14.9554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.7099 -15.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4244 -14.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4244 -14.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1389 -15.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1389 -16.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4244 -16.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4244 -17.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7099 -17.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7099 -18.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9955 -19.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9955 -19.9054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2810 -18.6679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9955 -17.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8533 -14.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2810 -15.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7099 -13.7179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5665 -14.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9955 -12.4804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2810 -11.2429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2810 -10.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9268 -12.3854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5399 -12.9374 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -8.0920 -12.3243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9879 -13.5505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1530 -13.4895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7892 -10.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8739 -11.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8830 -6.3266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8830 -5.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1686 -6.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4541 -6.3266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4541 -5.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2604 -6.7391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9748 -6.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9748 -5.5016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6893 -6.7391 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4038 -6.3266 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1183 -6.7391 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8327 -6.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5472 -6.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2617 -6.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1183 -7.5641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8327 -7.9766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4038 -7.9766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4038 -5.5016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6893 -7.5641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 1 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 9 8 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 9 14 1 0 0 0 0 14 15 1 6 0 0 0 13 16 1 6 0 0 0 17 16 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 17 22 1 0 0 0 0 21 23 1 6 0 0 0 20 24 1 1 0 0 0 24 25 1 0 0 0 0 19 26 1 6 0 0 0 26 27 1 0 0 0 0 18 28 1 6 0 0 0 28 29 1 0 0 0 0 11 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 11 33 1 6 0 0 0 32 34 1 1 0 0 0 34 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 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 47 52 1 0 0 0 0 43 53 1 0 0 0 0 39 54 1 6 0 0 0 38 55 1 1 0 0 0 37 56 1 6 0 0 0 36 57 1 1 0 0 0 34 58 1 6 0 0 0 58 59 1 0 0 0 0 31 60 1 1 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 61 63 1 0 0 0 0 61 64 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 2 67 1 0 0 0 0 67 68 1 1 0 0 0 67 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 1 0 0 0 70 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 2 0 0 0 0 73 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 77 81 1 6 0 0 0 81 82 1 0 0 0 0 81 83 1 0 0 0 0 76 84 1 1 0 0 0 75 85 1 6 0 0 0 M END > NP0069725 > NP-MRD > COC[C@@H]([C@H](O)[C@H](O)C(=O)N[C@H](C)C[C@H](C)C1=NC(\C=C\C[C@@H]2O[C@@]3(C[C@H](O[C@@H]4O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]4OC)[C@@H]2C)O[C@H]([C@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C(\C)=C/C=C/C(/C)=C/C(N)=O)OC)[C@H](OP(O)(O)=O)C3(C)C)=CO1)N(C)C > InChI=1S/C60H101N4O20P/c1-32(25-47(61)66)21-19-22-33(2)34(3)26-35(4)48(67)38(7)43(65)28-45(75-15)52-55(84-85(71,72)73)59(10,11)60(83-52)29-46(81-58-54(78-18)53(77-17)51(76-16)40(9)80-58)39(8)44(82-60)24-20-23-41-30-79-57(63-41)36(5)27-37(6)62-56(70)50(69)49(68)42(31-74-14)64(12)13/h19-23,25-26,30,35-40,42-46,48-55,58,65,67-69H,24,27-29,31H2,1-18H3,(H2,61,66)(H,62,70)(H2,71,72,73)/b21-19+,23-20+,32-25+,33-22-,34-26+/t35-,36+,37-,38+,39-,40+,42+,43+,44+,45+,46+,48-,49+,50+,51+,52-,53-,54-,55+,58+,60+/m1/s1 > YTSZONUMWPRLEY-RJIDSUKNSA-N > C60H101N4O20P > 1229.45 > 1228.674678666 > 20 > 186 > 131.07459928028362 > 0 > 8 > 0 > 0 > {[(2R,3R,5S,7S,8S,9S)-2-[(1S,3S,4S,5R,6R,7E,9Z,11E,13E)-14-carbamoyl-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraen-1-yl]-7-[(2E)-3-{2-[(2S,4R)-4-[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanamido]pentan-2-yl]-1,3-oxazol-4-yl}prop-2-en-1-yl]-4,4,8-trimethyl-9-{[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy}-1,6-dioxaspiro[4.5]decan-3-yl]oxy}phosphonic acid > 2.3599969690531375 > 1 > 4 > -1 > 6.171553153944393 > 1.1460290425610142 > 8.216075368716904 > 332.21000000000004 > 319.48100000000017 > 32 > 0 > [(2R,3R,5S,7S,8S,9S)-2-[(1S,3S,4S,5R,6R,7E,9Z,11E,13E)-14-carbamoyl-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraen-1-yl]-7-[(2E)-3-{2-[(2S,4R)-4-[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanamido]pentan-2-yl]-1,3-oxazol-4-yl}prop-2-en-1-yl]-4,4,8-trimethyl-9-{[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy}-1,6-dioxaspiro[4.5]decan-3-yl]oxyphosphonic acid > 0 > NP0069725 > Clavosine C $$$$