Mrv1652309092222142D 48 48 0 0 1 0 999 V2000 -1.4909 5.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7765 5.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 5.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6525 5.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6525 6.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 5.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0814 5.4129 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0814 6.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7959 6.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 6.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7959 5.0004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7959 4.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5104 5.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2248 5.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9393 5.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6538 5.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9393 6.2379 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2248 6.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6538 6.6504 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3682 6.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6538 7.4754 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3682 7.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9393 7.8879 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3953 7.2677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6554 6.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7094 6.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 7.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 7.9859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7441 8.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0510 7.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6861 7.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3406 8.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0658 8.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0119 9.2211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1939 9.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2771 10.0023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5626 10.4148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 10.6226 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3188 11.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5609 10.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3421 10.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2345 9.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1654 10.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5303 10.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1505 9.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2045 8.6692 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0224 8.5615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5247 9.2160 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 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 7 6 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 1 0 0 0 17 19 1 0 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 21 22 1 1 0 0 0 23 21 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 27 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 34 36 1 0 0 0 0 36 37 1 1 0 0 0 36 38 1 0 0 0 0 38 39 1 6 0 0 0 38 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 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 23 46 1 0 0 0 0 46 47 1 6 0 0 0 47 48 1 0 0 0 0 M END > NP0289846 > NP-MRD > CCCC(=O)O[C@H](C(C)C)[C@@H](C)\C=C\C(=O)[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)\C(OC)=C\C(\C)=C\[C@@H](C)[C@@H](O)[C@H](C)C\C(C)=C\C=C\[C@@H]1OC > InChI=1S/C39H62O9/c1-13-15-34(41)47-37(23(2)3)26(6)18-19-31(40)29(9)36(43)30(10)38-32(45-11)17-14-16-24(4)20-27(7)35(42)28(8)21-25(5)22-33(46-12)39(44)48-38/h14,16-19,21-23,26-30,32,35-38,42-43H,13,15,20H2,1-12H3/b17-14+,19-18+,24-16+,25-21+,33-22-/t26-,27+,28+,29+,30-,32-,35-,36-,37+,38+/m0/s1 > MBPAMCVOCHDMNK-CIFCEQHNSA-N > C39H62O9 > 674.916 > 674.439383576 > 7 > 110 > 76.09563399552236 > 0 > 2 > 0 > 0 > (3R,4S,5E,8S,9R,10S)-9-hydroxy-10-[(2R,3S,4E,6E,9R,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]-2,4,8-trimethyl-7-oxoundec-5-en-3-yl butanoate > 7.295862523999999 > 0 > 1 > 0 > 18.517159212993935 > 14.437076341099402 > -0.7344908334817742 > 128.59 > 194.15660000000003 > 14 > 0 > (3R,4S,5E,8S,9R,10S)-9-hydroxy-10-[(2R,3S,4E,6E,9R,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]-2,4,8-trimethyl-7-oxoundec-5-en-3-yl butanoate > 0 > NP0289846 > (3r,4s,5e,8s,9r,10s)-9-hydroxy-10-[(2r,3s,4e,6e,9r,10s,11r,12e,14z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]-2,4,8-trimethyl-7-oxoundec-5-en-3-yl butanoate $$$$