Mrv1652304292200102D 102103 0 0 1 0 999 V2000 0.5377 8.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 7.4314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9087 7.6259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1412 8.4175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5718 9.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7701 8.8201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2008 9.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0290 8.9429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8206 9.1754 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6419 9.2538 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4631 9.1754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2547 8.9429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9880 8.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6365 8.0549 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1768 7.4314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5893 6.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8591 5.9373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9765 5.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9372 4.2967 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7427 3.4949 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4000 2.7445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9215 2.0724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3244 1.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8344 0.8546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6304 1.0571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8645 0.7505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0544 0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1328 -0.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2294 0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4193 0.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6534 1.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9593 1.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3623 2.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8837 2.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 3.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3465 4.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3072 5.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4246 5.9373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6945 6.7170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0560 7.0597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 6.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0084 0.3238 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8325 0.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5624 -0.3702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9404 -1.1035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7383 -0.3310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1145 2.3320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1145 1.5070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8290 1.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 1.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8290 2.7445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5434 2.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5434 1.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2579 2.7445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2579 3.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9724 2.3320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6868 2.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4013 2.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1158 2.7445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8303 2.3320 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8303 1.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5447 2.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2592 2.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 2.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6881 3.1570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4026 2.7445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4026 1.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1171 1.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8316 1.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1171 0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1171 3.1570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.1171 3.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4026 4.3945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8316 4.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5460 3.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2605 4.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9750 4.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9750 5.6320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6894 4.3945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6894 3.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4039 4.8070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4039 5.6320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1184 4.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8329 4.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1184 3.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6730 3.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8480 5.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6881 3.9820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3862 2.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5612 3.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5447 3.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1158 3.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9724 1.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5224 3.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7538 4.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3397 7.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8488 7.9100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2058 8.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5613 9.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6193 9.9855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6419 10.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6645 9.9855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 6 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 1 0 0 0 4 8 1 0 0 0 0 8 9 1 0 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 2 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 16 17 2 0 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 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 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 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 2 39 1 0 0 0 0 39 40 1 1 0 0 0 40 41 1 0 0 0 0 25 42 1 6 0 0 0 42 43 1 6 0 0 0 42 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 21 47 1 1 0 0 0 47 48 1 0 0 0 0 48 49 1 6 0 0 0 48 50 1 0 0 0 0 47 51 1 6 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 54 55 1 1 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 1 0 0 0 60 62 1 0 0 0 0 62 63 2 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 68 70 1 0 0 0 0 66 71 1 6 0 0 0 71 72 1 0 0 0 0 72 73 2 0 0 0 0 72 74 1 0 0 0 0 74 75 2 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 2 0 0 0 0 77 79 1 0 0 0 0 79 80 1 6 0 0 0 79 81 1 0 0 0 0 81 82 1 1 0 0 0 81 83 1 0 0 0 0 83 84 1 0 0 0 0 83 85 1 0 0 0 0 76 86 1 0 0 0 0 76 87 1 0 0 0 0 65 88 1 6 0 0 0 64 89 1 0 0 0 0 64 90 1 0 0 0 0 62 91 1 0 0 0 0 59 92 1 1 0 0 0 56 93 1 1 0 0 0 20 94 1 1 0 0 0 19 95 1 1 0 0 0 16 96 1 0 0 0 0 15 97 1 6 0 0 0 14 98 1 1 0 0 0 12 99 1 0 0 0 0 11100 1 6 0 0 0 10101 1 1 0 0 0 9102 1 1 0 0 0 M END > NP0076993 > NP-MRD > CO[C@@H]1\C=C/C=C\CC\C=C/C=C\C(=O)N[C@@H]([C@H](O)C(O)=O)C(=O)O[C@H]([C@H](NC(=O)[C@@H](C)[C@H](O)CC[C@@H](C)[C@H](O)C(\C)=C\C(C)(C)[C@H](O)[C@@H](CC(C)C)NC(=O)\C=C\C(C)(C)C(=O)[C@@H](C)[C@@H](O)C(C)C)[C@@H](C)O)[C@H](C)[C@H](O)C\C=C(C)/[C@@H](O)[C@H](C)\C=C(C)/[C@@H](O)[C@H](C)[C@H](O)C[C@@H]2C[C@H](C)C[C@@H]1O2 > InChI=1S/C79H131N3O20/c1-43(2)37-57(80-64(88)35-36-78(16,17)73(94)54(14)67(89)44(3)4)74(95)79(18,19)42-50(10)69(91)47(7)32-34-59(85)53(13)75(96)82-65(55(15)83)72-52(12)58(84)33-31-46(6)68(90)48(8)40-49(9)70(92)51(11)60(86)41-56-38-45(5)39-62(101-56)61(100-20)29-27-25-23-21-22-24-26-28-30-63(87)81-66(77(99)102-72)71(93)76(97)98/h23-31,35-36,40,42-45,47-48,51-62,65-72,74,83-86,89-93,95H,21-22,32-34,37-39,41H2,1-20H3,(H,80,88)(H,81,87)(H,82,96)(H,97,98)/b25-23-,26-24-,29-27-,30-28-,36-35+,46-31-,49-40-,50-42+/t45-,47+,48+,51+,52+,53-,54-,55+,56-,57+,58+,59+,60+,61+,62-,65+,66-,67-,68+,69-,70+,71-,72-,74+/m0/s1 > BNLWXUCNIHFRCE-RGQUASESSA-N > C79H131N3O20 > 1442.918 > 1441.93259363 > 19 > 233 > 161.3097924392013 > 0 > 14 > 0 > 0 > (2S)-2-hydroxy-2-[(1S,2R,3E,5E,9E,11E,15S,18S,19R,20R,22E,24S,25R,26E,28S,29R,30R,32S,34S)-20,24,28,30-tetrahydroxy-18-[(1R,2R)-2-hydroxy-1-[(2S,3R,6R,7S,8E,11S,12R)-3,7,11-trihydroxy-12-[(2E,6S,7S)-7-hydroxy-4,4,6,8-tetramethyl-5-oxonon-2-enamido]-2,6,8,10,10,14-hexamethylpentadec-8-enamido]propyl]-2-methoxy-19,23,25,27,29,34-hexamethyl-13,16-dioxo-17,36-dioxa-14-azabicyclo[30.3.1]hexatriaconta-3,5,9,11,22,26-hexaen-15-yl]acetic acid > 4.48 > 7.677992376666664 > -5.33 > 0 > 2 > -1 > 12.161960995978461 > 3.5863855873382864 > -2.998072270132835 > 388.7300000000001 > 400.24119999999965 > 25 > 0 > 6.80e-03 g/l > (S)-hydroxy[(1S,2R,3E,5E,9E,11E,15S,18S,19R,20R,22E,24S,25R,26E,28S,29R,30R,32S,34S)-20,24,28,30-tetrahydroxy-18-[(1R,2R)-2-hydroxy-1-[(2S,3R,6R,7S,8E,11S,12R)-3,7,11-trihydroxy-12-[(2E,6S,7S)-7-hydroxy-4,4,6,8-tetramethyl-5-oxonon-2-enamido]-2,6,8,10,10,14-hexamethylpentadec-8-enamido]propyl]-2-methoxy-19,23,25,27,29,34-hexamethyl-13,16-dioxo-17,36-dioxa-14-azabicyclo[30.3.1]hexatriaconta-3,5,9,11,22,26-hexaen-15-yl]acetic acid > 0 > NP0076993 > Poecillastrin C $$$$