Mrv1652309102205252D 57 59 0 0 1 0 999 V2000 -6.9139 -0.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6985 -0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3116 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1401 -1.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3554 -1.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1839 -2.5519 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7359 -3.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5564 -3.0788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3234 -3.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5165 -3.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -2.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7158 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6599 -1.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4669 -1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8794 -2.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6998 -2.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3273 -2.8106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4989 -3.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2835 -3.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4550 -4.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8419 -5.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0134 -6.0384 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 2 0 0 0 0 4 5 1 0 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 6 11 1 0 0 0 0 11 12 1 1 0 0 0 12 13 1 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 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 26 25 1 6 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 6 0 0 0 29 30 1 0 0 0 0 28 31 1 0 0 0 0 31 32 1 6 0 0 0 31 33 1 0 0 0 0 33 34 1 6 0 0 0 33 35 1 0 0 0 0 26 35 1 0 0 0 0 35 36 1 1 0 0 0 23 37 1 6 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 47 46 1 1 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 47 52 1 0 0 0 0 52 53 1 1 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 M END > NP0294734 > NP-MRD > CC\C=C/C[C@H]1[C@@H](CCCCCCCC(=O)OC[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC(=O)CCCCCCC[C@H]2C=CC(=O)[C@H]2C\C=C/CC)C=CC1=O > InChI=1S/C45H70O12/c1-3-5-13-21-35-32(25-27-37(35)47)19-15-9-7-11-17-23-40(49)54-30-34(31-55-45-44(53)43(52)42(51)39(29-46)57-45)56-41(50)24-18-12-8-10-16-20-33-26-28-38(48)36(33)22-14-6-4-2/h5-6,13-14,25-28,32-36,39,42-46,51-53H,3-4,7-12,15-24,29-31H2,1-2H3/b13-5-,14-6-/t32-,33-,34+,35-,36-,39+,42-,43-,44+,45+/m0/s1 > SYJOSMLJXIQXFJ-YENLXDNHSA-N > C45H70O12 > 803.043 > 802.486727694 > 10 > 127 > 92.19834372326353 > 0 > 4 > 0 > 0 > (2S)-1-({8-[(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl]octanoyl}oxy)-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl 8-[(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl]octanoate > 7.878185295666667 > 1 > 3 > 0 > 13.20019414743382 > 12.210855703023679 > -2.9810834223250415 > 186.12 > 220.4566000000001 > 31 > 0 > (2S)-1-({8-[(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl]octanoyl}oxy)-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl 8-[(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl]octanoate > 0 > NP0294734 > (2s)-1-({8-[(1s,5s)-4-oxo-5-[(2z)-pent-2-en-1-yl]cyclopent-2-en-1-yl]octanoyl}oxy)-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl 8-[(1s,5s)-4-oxo-5-[(2z)-pent-2-en-1-yl]cyclopent-2-en-1-yl]octanoate $$$$