Mrv2104 06072104272D 61 69 0 0 1 0 999 V2000 6.3732 -5.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3833 -4.6207 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7219 -4.1276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9129 -4.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3684 -3.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6330 -2.8879 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0885 -2.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4420 -2.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9865 -3.3461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8114 -3.3563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4848 -2.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1462 -3.3727 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9552 -3.2111 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2198 -2.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0288 -2.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5732 -2.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3823 -2.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9267 -3.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6622 -4.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8531 -4.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3087 -3.6693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0441 -4.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4997 -3.8309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2351 -4.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4261 -4.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8816 -4.1541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5368 -4.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0567 -4.1440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7357 -3.1845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0003 -2.4031 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4559 -1.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7204 -1.0019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1760 -0.3820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4405 0.3994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5294 -0.8403 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7940 -0.0588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0739 -1.4601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8829 -1.2985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1475 -0.5171 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6030 0.1028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8676 0.8842 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3231 1.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5141 1.3424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6766 1.0458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9412 1.8272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2211 0.4260 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0301 0.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9565 -0.3555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5009 -0.9753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8093 -2.2415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3538 -2.8614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0892 -3.6428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2802 -3.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0156 -4.5858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2066 -4.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5601 -5.2056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2955 -5.9871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3691 -5.0441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9136 -5.6639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6337 -4.2626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4427 -4.1010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 3 9 1 1 0 0 0 10 9 1 1 0 0 0 10 11 1 0 0 0 0 12 11 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 6 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 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 16 21 1 0 0 0 0 21 22 1 1 0 0 0 21 23 1 0 0 0 0 13 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 12 26 1 0 0 0 0 26 27 1 1 0 0 0 26 28 1 0 0 0 0 2 28 1 0 0 0 0 28 10 1 1 0 0 0 18 29 1 0 0 0 0 30 29 1 6 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 6 0 0 0 33 34 1 0 0 0 0 32 35 1 0 0 0 0 35 36 1 6 0 0 0 35 37 1 0 0 0 0 37 38 1 6 0 0 0 39 38 1 6 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 6 0 0 0 42 43 1 0 0 0 0 41 44 1 0 0 0 0 44 45 1 1 0 0 0 44 46 1 0 0 0 0 46 47 1 6 0 0 0 46 48 1 0 0 0 0 39 48 1 0 0 0 0 48 49 1 1 0 0 0 37 50 1 0 0 0 0 30 50 1 0 0 0 0 50 51 1 1 0 0 0 52 51 1 6 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 6 0 0 0 54 56 1 0 0 0 0 56 57 1 1 0 0 0 56 58 1 0 0 0 0 58 59 1 6 0 0 0 58 60 1 0 0 0 0 52 60 1 0 0 0 0 60 61 1 6 0 0 0 M END > PHUB000852 > phytohub > C[C@@H]1[C@H]2CC[C@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC=C5CC(CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O > InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23?,24+,25-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41+,42-,43+,44-,45-/m0/s1 > ZGVSETXHNHBTRK-WWELWOLRSA-N > C45H73NO15 > 868.071 > 867.498020655 > 16 > 134 > 0.9999681728830734 > 95.04274571140039 > 0 > 9 > 0 > 0 > (2S,3R,4S,5S,6R)-2-{[(2R,3S,4S,5R,6R)-3-hydroxy-2-(hydroxymethyl)-6-{[(1S,2S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0^{2,11}.0^{5,10}.0^{15,23}.0^{17,22}]tetracos-4-en-7-yl]oxy}-5-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 1.29 > -0.4348012784009515 > -3.15 > 1 > 1 > 9 > 1 > 12.568179792882963 > 12.220431599446616 > 11.784741339747352 > 240.68999999999997 > 216.55360000000005 > 8 > 0 > 6.19e-01 g/l > (2S,3R,4S,5S,6R)-2-{[(2R,3S,4S,5R,6R)-3-hydroxy-2-(hydroxymethyl)-6-{[(1S,2S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0^{2,11}.0^{5,10}.0^{15,23}.0^{17,22}]tetracos-4-en-7-yl]oxy}-5-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0 $$$$