70187248 -OEChem-04262418042D 128128 0 1 0 0 0 0 0999 V2000 3.8671 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1271 5.5701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3671 6.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5613 4.6701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3991 6.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5919 7.2174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2423 16.7323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3763 18.2323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 4.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1761 5.2611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3671 5.8488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5580 5.2611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0010 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0010 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8181 4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2690 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2690 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6070 5.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3350 6.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2861 6.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4940 7.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4451 8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5102 16.7323 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6442 16.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6530 9.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7782 16.7323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0102 17.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9122 16.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6040 9.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0102 15.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3763 17.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8120 10.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0102 17.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0461 16.7323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9122 15.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7630 10.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9709 11.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6162 11.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6651 11.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9220 12.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3593 10.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3104 11.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0535 10.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0046 10.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7477 10.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6988 10.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2731 5.8734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9195 6.1303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1196 4.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5270 3.4536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3067 3.6193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9874 5.5484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5207 4.9561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8301 7.1588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1509 4.4785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8094 6.7398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3724 6.2433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9057 6.8356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4077 8.4494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8744 7.8570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5314 7.5304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0647 8.1228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2457 15.7574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0427 15.7574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5667 9.7365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0334 9.1442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1767 17.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3797 17.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5929 17.8104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9026 18.2090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9122 16.8524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6903 8.8176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2237 9.4099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4733 15.5563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3202 15.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5472 16.1763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7257 11.0237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1923 10.4314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0102 18.2184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3902 17.5984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0102 16.9784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3561 17.2693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5092 17.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7361 16.1954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2922 15.2323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9122 14.6123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5322 15.2323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8493 10.1048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3826 10.6971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7792 17.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5102 12.1117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1047 12.0275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3251 12.1932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1766 10.9551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9562 10.7893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8708 10.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6504 10.4292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0509 12.6123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7989 11.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0193 11.8331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5650 10.2348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3446 10.0691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4931 11.3073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7135 11.4730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2592 9.8747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0388 9.7090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8904 9.9758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2884 10.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5072 11.1551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 18 1 0 0 0 0 15 2 1 6 0 0 0 19 2 1 6 0 0 0 16 3 1 6 0 0 0 3 27 1 0 0 0 0 4 19 1 0 0 0 0 4 24 1 0 0 0 0 17 5 1 1 0 0 0 5 67 1 0 0 0 0 20 6 1 6 0 0 0 6 70 1 0 0 0 0 7 21 1 0 0 0 0 7 71 1 0 0 0 0 22 8 1 1 0 0 0 8 72 1 0 0 0 0 23 9 1 6 0 0 0 9 73 1 0 0 0 0 10 25 1 0 0 0 0 10 74 1 0 0 0 0 11 26 1 0 0 0 0 11 79 1 0 0 0 0 12 27 2 0 0 0 0 13 39 1 0 0 0 0 13109 1 0 0 0 0 14 39 2 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 55 1 0 0 0 0 17 18 1 0 0 0 0 17 56 1 0 0 0 0 18 25 1 6 0 0 0 18 57 1 0 0 0 0 19 20 1 0 0 0 0 19 58 1 0 0 0 0 20 22 1 0 0 0 0 20 59 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 23 1 0 0 0 0 22 62 1 0 0 0 0 23 24 1 0 0 0 0 23 63 1 0 0 0 0 24 26 1 1 0 0 0 24 64 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 75 1 0 0 0 0 28 76 1 0 0 0 0 29 30 1 0 0 0 0 29 77 1 0 0 0 0 29 78 1 0 0 0 0 30 33 1 0 0 0 0 30 80 1 0 0 0 0 30 81 1 0 0 0 0 31 32 1 0 0 0 0 31 35 1 0 0 0 0 31 38 1 0 0 0 0 31 39 1 0 0 0 0 32 34 1 0 0 0 0 32 82 1 0 0 0 0 32 83 1 0 0 0 0 33 37 1 0 0 0 0 33 84 1 0 0 0 0 33 85 1 0 0 0 0 34 36 1 0 0 0 0 34 86 1 0 0 0 0 34 87 1 0 0 0 0 35 41 1 0 0 0 0 35 88 1 0 0 0 0 35 89 1 0 0 0 0 36 42 1 0 0 0 0 36 43 1 0 0 0 0 36 90 1 0 0 0 0 37 40 1 0 0 0 0 37 91 1 0 0 0 0 37 92 1 0 0 0 0 38 93 1 0 0 0 0 38 94 1 0 0 0 0 38 95 1 0 0 0 0 40 44 1 0 0 0 0 40 96 1 0 0 0 0 40 97 1 0 0 0 0 41 98 1 0 0 0 0 41 99 1 0 0 0 0 41100 1 0 0 0 0 42101 1 0 0 0 0 42102 1 0 0 0 0 42103 1 0 0 0 0 43104 1 0 0 0 0 43105 1 0 0 0 0 43106 1 0 0 0 0 44 45 1 0 0 0 0 44107 1 0 0 0 0 44108 1 0 0 0 0 45 48 2 0 0 0 0 45110 1 0 0 0 0 46 47 1 0 0 0 0 46 49 1 0 0 0 0 46111 1 0 0 0 0 46112 1 0 0 0 0 47 48 1 0 0 0 0 47113 1 0 0 0 0 47114 1 0 0 0 0 48117 1 0 0 0 0 49 50 1 0 0 0 0 49115 1 0 0 0 0 49116 1 0 0 0 0 50 51 1 0 0 0 0 50118 1 0 0 0 0 50119 1 0 0 0 0 51 52 1 0 0 0 0 51120 1 0 0 0 0 51121 1 0 0 0 0 52 53 1 0 0 0 0 52122 1 0 0 0 0 52123 1 0 0 0 0 53 54 1 0 0 0 0 53124 1 0 0 0 0 53125 1 0 0 0 0 54126 1 0 0 0 0 54127 1 0 0 0 0 54128 1 0 0 0 0 M END > 70187248 > 1 > 919 > 14 > 8 > 27 > AAADcfB8PAAAAAAAAAAAAAAAAAAAASAAAAAkAAAAAAAAAAAAAAAAGgAACAAADxSwgAMCCAAABgCIACDSCAAAAAAgAAAICAEAAAgREBIAAQAiQAAFgAAPAAPI6PyPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-ethyl-2,5-dimethyl-hexanoic acid;[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-3-yl] (Z)-octadec-9-enoate > 2-ethyl-2,5-dimethylhexanoic acid;(Z)-9-octadecenoic acid [(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-oxolanyl] ester > 2-ethyl-2,5-dimethylhexanoic acid;[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] (Z)-octadec-9-enoate > 2-ethyl-2,5-dimethylhexanoic acid;[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] (Z)-octadec-9-enoate > [(2S,3S,4R,5R)-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxolan-3-yl] (Z)-octadec-9-enoate;2-ethyl-2,5-dimethyl-hexanoic acid > 2-ethyl-2,5-dimethyl-hexanoic acid;(Z)-octadec-9-enoic acid [(2S,3S,4R,5R)-4-hydroxy-2,5-dimethylol-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydrofuran-3-yl] ester > InChI=1S/C30H54O12.C10H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(34)40-28-25(36)22(19-32)41-30(28,20-33)42-29-27(38)26(37)24(35)21(18-31)39-29;1-5-10(4,9(11)12)7-6-8(2)3/h9-10,21-22,24-29,31-33,35-38H,2-8,11-20H2,1H3;8H,5-7H2,1-4H3,(H,11,12)/b10-9-;/t21-,22-,24-,25-,26+,27-,28+,29-,30+;/m1./s1 > JAXDNANBZXDFCO-ZJGDYMKGSA-N > 778.50785703 > C40H74O14 > 779.0 > CCCCCCCCC=CCCCCCCCC(=O)OC1C(C(OC1(CO)OC2C(C(C(C(O2)CO)O)O)O)CO)O.CCC(C)(CCC(C)C)C(=O)O > CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@@]1(CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO)O.CCC(C)(CCC(C)C)C(=O)O > 233 > 778.50785703 > 0 > 54 > 9 > 1 > 1 > 0 > 0 > 2 > -1 > 1 5 255 > 18 25 6 15 2 6 19 2 6 24 26 5 16 3 6 31 38 3 17 5 5 20 6 6 22 8 5 23 9 6 $$$$