Mrv1652309042203152D 45 46 0 0 1 0 999 V2000 18.1154 -5.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8299 -5.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5443 -5.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2588 -5.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9733 -5.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6877 -5.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4022 -5.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1167 -5.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8312 -5.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5456 -5.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2601 -5.7555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.2601 -6.5805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9746 -5.3430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.9746 -4.5180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6890 -5.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4035 -5.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1180 -5.7555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.1180 -6.5805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8325 -5.3430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.8325 -4.5180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.5469 -5.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2614 -5.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9759 -5.7555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 30.9759 -6.5805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.6903 -5.3430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 31.7766 -4.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5835 -4.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9960 -5.0655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 33.8165 -5.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1521 -5.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9726 -5.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.3081 -6.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.1286 -6.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.4642 -7.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.2846 -7.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6202 -8.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.4407 -8.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.7762 -9.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.5832 -9.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.6694 -10.2570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 40.3839 -10.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.9158 -10.5926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.3637 -9.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.5433 -10.0657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.4440 -5.6786 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 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 0 0 0 0 7 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 6 0 0 0 11 13 1 0 0 0 0 13 14 1 1 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 6 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 0 0 0 0 22 23 1 0 0 0 0 23 24 1 6 0 0 0 25 23 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 1 0 0 0 29 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 33 34 1 0 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 2 0 0 0 0 39 40 1 0 0 0 0 40 41 1 6 0 0 0 40 42 1 0 0 0 0 42 43 1 0 0 0 0 38 43 1 0 0 0 0 43 44 2 0 0 0 0 28 45 1 0 0 0 0 25 45 1 0 0 0 0 M END > NP0185732 > NP-MRD > CCCCCCCCCC[C@@H](O)[C@@H](O)CC[C@@H](O)[C@@H](O)CC[C@@H](O)[C@H]1CC[C@@H](CCCCCCCCCC2=C[C@H](C)OC2=O)O1 > InChI=1S/C37H68O8/c1-3-4-5-6-7-11-14-17-20-31(38)32(39)22-23-33(40)34(41)24-25-35(42)36-26-21-30(45-36)19-16-13-10-8-9-12-15-18-29-27-28(2)44-37(29)43/h27-28,30-36,38-42H,3-26H2,1-2H3/t28-,30+,31+,32-,33+,34-,35+,36+/m0/s1 > OICKTCBVAYOJGE-QMSPDADRSA-N > C37H68O8 > 640.943 > 640.49141915 > 7 > 113 > 78.11696296740911 > 0 > 5 > 0 > 0 > (5S)-5-methyl-3-{9-[(2R,5R)-5-[(1R,4S,5R,8S,9R)-1,4,5,8,9-pentahydroxynonadecyl]oxolan-2-yl]nonyl}-2,5-dihydrofuran-2-one > 7.520488360999999 > 0 > 2 > 0 > 13.673869734734268 > 13.186916540353472 > -3.1440776478873698 > 136.68 > 179.9067 > 28 > 0 > (5S)-5-methyl-3-{9-[(2R,5R)-5-[(1R,4S,5R,8S,9R)-1,4,5,8,9-pentahydroxynonadecyl]oxolan-2-yl]nonyl}-5H-furan-2-one > 0 > NP0185732 > (5s)-5-methyl-3-{9-[(2r,5r)-5-[(1r,4s,5r,8s,9r)-1,4,5,8,9-pentahydroxynonadecyl]oxolan-2-yl]nonyl}-5h-furan-2-one $$$$